24СʱÈÈÃŰæ¿éÅÅÐаñ    

²é¿´: 1843  |  »Ø¸´: 8

lil33931687

ľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÇóÖú¸ßÊÖ°ïæ ÒÑÓÐ2È˲ÎÓë

×î½üͶÁËһƪActa e,±à¼­·µ»ØÕâÑùµÄÆÀÂÛ£º
1. The scheme still suffers from irregular shaped rings. The methoxy groups have to be replaced by "R" that are correctly positioned.
2. The Sheldrick citations are still wrong. See Acta home page for help and do use PUBLCIF for checking!
3. The su's of cell parameters are worse than before.

If you will not be able to upload satisfying cif and scheme within 1 week the manuscript will be rejected¡£
ΣÏÕ°¡£¡ÎÒÏÖÔÚÊÇÒ»ÉíÀ亹£¡

µÚÒ»Ìõ£¬»­Í¼¡£ËûÈÃÎҰѼ×Ñõ»ùÓÃR´úÌæ£¬ÊÇÕâ¸öÒâ˼Â𣬿ÉÊÇÕâÑù²»ÄÜ·´Ó³¾§ÌåµÄʵ¼Ê½á¹¹£¬ÎÒ»¹´ÓÀ´Ã»Óö¼û¹ý¡£
µÚ¶þÌõ£¬¾ÍÊÇsheldrickµÄÒýÓã¬ÎҲ鿴ÁËÐí¶àÎÄÕ£¬»ù±¾¶¼ÕâÑùÒýÓã¬ÎÒÒ²ÊÇ£¬
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.(cifÀïµÄ¸ñʽ£©
¿É±à¼­Ëµ²»¶Ô£¬Ò²²»Öª´íÔÚÄÄÀµ½µ×¸ÃÔõôÒýÓã¿
µÚÈýÌõ£¬¾ÍÊǵ¥°û²ÎÊýÎÊÌ⣬ÇëÎʸÃÔõô½â¾ö£¿
Alert level C
The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.759
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C35    --  C36     ..       5.89 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C37    --  C38     ..       5.30 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sm1    --  O7      ..       8.44 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT411_ALERT_2_C Short Inter H...H Contact  H24A   ..  H24A    ..       2.10 Ang.
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   SM1    --  SM1     ..       3.95 Ang.

Alert level G
PLAT343_ALERT_2_G Check         Angle Range in Main Residue for ..        C29      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg.
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.          1      
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3

Çë¸ßÊÖ²»Áߴͽ̣¡£¬Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xi2004

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
µÛ·ò(½ð±Ò+3):¸Ðл»ØÌû½»Á÷£¡ 2010-09-14 09:10:50
1¡£ ÌýËûµÄ
2¡£
http://journals.iucr.org/c/services/authorservices.html

Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

3¡£ ²éԭʼ¼Ç¼
xi2004-emuch@163.com
2Â¥2010-09-14 08:40:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by xi2004 at 2010-09-14 08:40:10:
1¡£ ÌýËûµÄ
2¡£
http://journals.iucr.org/c/services/authorservices.html

Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

3¡£ ²éԭʼ¼Ç¼

лл£¡ÎұȽϲˣ¬ÇëÀÏʦ˵Ïêϸµã¡£
µÚ¶þÌõ£¬ÎÒÒѾ­pubcifÁË£¬Ã»Ê²Ã´ÎÊÌâ°¡£¬¿É±à¼­ËµÓÐÎÊÌ⣬
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122. ÒÔǰÕâÑù¶¼Í¨¹ýÁË£¬ÕæµÄ²»ÖªµÀÎÊÌâ³öÄÄÀï¡£
µÚÈýÌõ£¬ÇëÎÊsuÖµÊÇʲôÒâ˼£¬ÊDz»Êǵ¥°û³¤¿í¸ßºóÃæÀ¨ºÅÀïµÄÊý×Ö£¬ÎÒÒѾ­¸Ä¹ýÁ˰¡£¬ÇÒºÍcheckcifºóԭʼÊý×ÖÒ»ÖÂ, ÇëÀÏʦ°ïæ½â¾öÕâ¸öc¼¶´íÎó¡£
The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.759
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C35    --  C36     ..   5.89 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C37    --  C38     ..   5.30 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sm1    --  O7      .. 8.44 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT411_ALERT_2_C Short Inter H...H Contact  H24A   ..  H24A    ..       2.10 Ang.
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....          1 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   SM1    --  SM1     ..       3.95 Ang.

Alert level G
PLAT343_ALERT_2_G Check         Angle Range in Main Residue for ..        C29      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg.
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.          1      
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =     3
3Â¥2010-09-14 11:47:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xi2004

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
nash603(½ð±Ò+1):лл»ØÌù½»Á÷£¡ 2010-09-15 08:05:25
lil33931687(½ð±Ò+10): 2010-09-15 08:26:07
µÚÈýÌõ£¬Ô­Ê¼ÊÇÔõÑù¾ÍÔõÑù£¬ ΪºÎÒª¸ÄÄØ£¿ ÄãÒª»ØÍ·È¥²éÒ»ÏÂԭʼµÄ¡£
µÚ¶þÌõ£¬ÇëÎÊÔÚɶµØ·½ÒýÓõ½µÄ£¬ ÄãÊÇÔõôÒýÓõģ¬ ÌùÉÏÀ´¿´¿´¡£
xi2004-emuch@163.com
4Â¥2010-09-14 22:50:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by xi2004 at 2010-09-14 22:50:17:
µÚÈýÌõ£¬Ô­Ê¼ÊÇÔõÑù¾ÍÔõÑù£¬ ΪºÎÒª¸ÄÄØ£¿ ÄãÒª»ØÍ·È¥²éÒ»ÏÂԭʼµÄ¡£
µÚ¶þÌõ£¬ÇëÎÊÔÚɶµØ·½ÒýÓõ½µÄ£¬ ÄãÊÇÔõôÒýÓõģ¬ ÌùÉÏÀ´¿´¿´¡£

лл£¡
ÎÒÊÇÕâÑùÒýÓõÄ:
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
ÕâÊÇÔÚcifÀïµÄ¸ñʽ£¬²»Öª´íÔÚÄÄÀ
suµÄԭʼÊý¾ÝÊÇÕâÑùµÄ£º
_cell_length_a                    12.36960(10)
_cell_length_b                    12.43440(10)
_cell_length_c                    14.74670(10)
_cell_angle_alpha                 90.6410(10)
_cell_angle_beta                  103.4920(10)
_cell_angle_gamma                 116.6480(10)

checkµÄ½á¹ûÊÇ£º
The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.766
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C35    --  C36     ..   5.89 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C37    --  C38     ..   5.30 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sm1    --  O7      .. 8.44 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT411_ALERT_2_C Short Inter H...H Contact  H24A   ..  H24A    ..       2.10 Ang.
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang.
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         10 Ang.
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         10 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   SM1    --  SM1     ..       3.95 Ang.
ÎÒÒÔǰֻÊǰÑabcºóÃæÀ¨ºÅÀïµÄ10¸Ä³É1£¬Êµ¼Êcheck½á¹ûǰºóÊÇÒ»ÑùµÄ¡£
ÇëÀÏʦ°ïÎÒ½â¾öÒ»ÏÂÕâÁ½¸öÎÊÌ⣬·Ç³£¸Ðл£¡£¡
5Â¥2010-09-15 08:58:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by xi2004 at 2010-09-14 22:50:17:
µÚÈýÌõ£¬Ô­Ê¼ÊÇÔõÑù¾ÍÔõÑù£¬ ΪºÎÒª¸ÄÄØ£¿ ÄãÒª»ØÍ·È¥²éÒ»ÏÂԭʼµÄ¡£
µÚ¶þÌõ£¬ÇëÎÊÔÚɶµØ·½ÒýÓõ½µÄ£¬ ÄãÊÇÔõôÒýÓõģ¬ ÌùÉÏÀ´¿´¿´¡£

ÎÒÊÇÔÚ _publ_section_references ÏÂÃæÒýÓõģº
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122¡£

ÁíÍâcif×Ô¶¯Éú³ÉÓÐÕ⣺
_exptl_absorpt_process_details    'SADABS (Sheldrick, 1996)'

ÊÇ·ñ±ØÐëÒýÓÃ1996ÄêµÄ£¿
6Â¥2010-09-15 09:12:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xi2004

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Æ«²î¶¼ÊÇ10µÄº±¼û¡£
ËùÒÔ²ÅÒª²é²éԭʼ»¹Ô­µÃµ½µÄµ¥°ûÊÇÔõÑùµÄ¡£

ÄǸöÒýÓÃÒª¿´¿´ÄãÕýÎÄÖÐÔÚÄÄÀïÒýÓõ½¡£
xi2004-emuch@163.com
7Â¥2010-09-15 09:26:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lil33931687

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by xi2004 at 2010-09-15 09:26:08:
Æ«²î¶¼ÊÇ10µÄº±¼û¡£
ËùÒÔ²ÅÒª²é²éԭʼ»¹Ô­µÃµ½µÄµ¥°ûÊÇÔõÑùµÄ¡£

ÄǸöÒýÓÃÒª¿´¿´ÄãÕýÎÄÖÐÔÚÄÄÀïÒýÓõ½¡£

ллÀÏʦ£¬ÄÇôÕâ¸ösu'sÊDz»ÊǾͲ»ÓÃÈ¥¹ÜËüÁË?

shielrrickÎÒÕýÎÄûµØ·½ÒýÓõ½£¬ÆäËûÈËÒ²¶¼ÊÇÕâÑùµÄ£¬ËüÓ¦¸ÃÊÇ×Ô¶¯Éú³ÉµÄ£¬ÎÒ¿ÉÄÜȱÁË1996ÄêµÄ¡£
8Â¥2010-09-15 10:02:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xi2004

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by lil33931687 at 2010-09-15 10:02:34:

ллÀÏʦ£¬ÄÇôÕâ¸ösu'sÊDz»ÊǾͲ»ÓÃÈ¥¹ÜËüÁË?


ÒªºÍ±à¼­½âÊÍһϡ£
µ«ÎÒÒ²²»Ì«ÏàÐÅÄÇô´ÕÇɶ¼ÊÇ10.

shielrrickÎÒÕýÎÄûµØ·½ÒýÓõ½£¬ÆäËûÈËÒ²¶¼ÊÇÕâÑùµÄ£¬ËüÓ¦¸ÃÊÇ×Ô¶¯Éú³ÉµÄ£¬ÎÒ¿ÉÄÜȱÁË1996ÄêµÄ¡£

¶ÔÁË£¬ ¿´¿´×î½üµÄÎÄÕ£¬È˼ÒÔõôÒýÓ㬠ÕÕÑù×ö¾ÍÊÇÁË¡£
xi2004-emuch@163.com
9Â¥2010-09-15 15:26:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lil33931687 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] ÓÐûÓдóÉñ°ïÎÒ¿´¿´»ù½ð´úÂë 28+4 1234567wang 2026-08-24 10/500 2026-08-25 19:15 by lfy8008
[»ù½ðÉêÇë] ·Å°ñǰµÄ²»µ­¶¨ 20+4 snowwithsea 2026-08-19 19/950 2026-08-25 17:57 by chick875
[»ù½ðÉêÇë] 2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË +20 ÑòÑü°å 2026-08-21 23/1150 2026-08-25 16:34 by zsna
[»ù½ðÉêÇë] ½ñÈÕ²»·Å°ñ£¿Íø´«¹ú×ÔȻԤ¼Æ 8 Ô 27 Èտɲé½á¹û +17 ҽѧÀÏÄк¢ 2026-08-20 22/1100 2026-08-25 15:36 by ҽѧÀÏÄк¢
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[»ù½ðÉêÇë] ÈËÆø²»ÐÐÁË +11 fansofjerry 2026-08-21 11/550 2026-08-25 11:04 by ¹Â¶ÀµÄÓ¢ÐÛ6
[»ù½ðÉêÇë] 2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½ +5 process2012 2026-08-23 7/350 2026-08-25 09:42 by huixian257
[»ù½ðÉêÇë] ½ñÌì»ù½ð»á³ö½á¹ûÂð£¿20260819 +17 kkkl_v 2026-08-19 18/900 2026-08-25 09:41 by windflowerwy
[»ù½ðÉêÇë] ÎÒÃæÉÏÍêµ°ÁË +13 ÇÒÌý»¢Ð¥ 2026-08-20 14/700 2026-08-25 09:10 by mrkang
[»ù½ðÉêÇë] ·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë +7 Ñ׻ƹóëÐ 2026-08-22 8/400 2026-08-25 08:48 by ZJTJZ
[»ù½ðÉêÇë] Ö»ÓÐÿÄêÕâÖÖʱºòÀ´¹ä¹äСľ³æ +25 yaoyewhu2008 2026-08-20 27/1350 2026-08-25 08:01 by Equinoxhua
[»ù½ðÉêÇë] ÄÜ·ñÍ˳ö²ÎÓëµÄÃæÉÏÏîÄ¿½â³ýÏÞÏî +21 koalala 2026-08-24 24/1200 2026-08-24 19:25 by ¼ÒÓëÔ¶·½
[»ù½ðÉêÇë] filecode£¬4¸öjtjcÁË +14 ziyangfang 2026-08-19 17/850 2026-08-24 18:37 by ¹þ¹þ¸ò£¿
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +13 kulium 2026-08-21 16/800 2026-08-24 16:27 by superceng
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +18 ÎÒ4´ó°×²Ë 2026-08-20 19/950 2026-08-24 09:47 by ¿­¶÷¹ãÊ¢´ß»¯·ÖÎ
[»ù½ðÉêÇë] ½ñÌì·Å°ñÂ𣿠+15 ²¼²¼ºÍÒ»¶þ 2026-08-19 16/800 2026-08-23 09:55 by ÕÅ´ºÉú
[»ù½ðÉêÇë] ʱ¼ä´Á½ñÌ죬20ºÅ±äÁË +5 archvillain 2026-08-20 5/250 2026-08-22 06:12 by hui_daxiao
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] ½ñÌì·Å°ñûϷÁ衃 +9 yuleib84 2026-08-19 11/550 2026-08-21 10:06 by gltch
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û