Znn3bq.jpeg
²é¿´: 1778  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wangyang12

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÎÄÏ×Öеľ§ÌåcifÎļþ

ÎÄÏ×Angew. Chem. Int.Ed. Engl. 1996,35,2533-2535

ÔÚref 10ÖÐ, compound 1beta

CCDC number: CCDC-179-93

лл¸÷λÇë°ïæÕÒÒ»ÏÂ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zcy800204

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

wangyang12(½ð±Ò+5): good 2011-07-21 17:14:43
ÒýÓûØÌû:
Originally posted by wangyang12 at 2011-07-21 13:41:43:
ллÄúµÄ°ïÖú£¬Äܲ»Äܰɾ§ÌåµÄcifÎļþ¸øÎÒÄØ£¬ÕâÑùÎÒ¿ÉÒÔÔÚÈí¼þÖдò¿ª¡£Ê®·Ö¸Ðл£¡

¶¼ÔÚÉÏÃæÓУ¬Ð½¨Ò»Îı¾Îļþ£¬À©Õ¹Ãû¸ÄΪCIF,°ÑÉÏÃæµÄÐÅÏ¢¸´ÖÆÕ³ÌùÔÚÀïÃæ¾ÍOKÁË
5Â¥2011-07-21 15:09:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

zcy800204

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
µÛ·ò(½ð±Ò+2): ¸ÐлӦÖú~ 2011-07-21 15:09:05
data_CSD_CIF_YOMXUT01
_audit_creation_date 1997-07-21
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOMXUT01
_chemical_formula_sum 'C8 F4 N3 S2'
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'F d d 2'
_symmetry_Int_Tables_number 43
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 1/4-x,1/4+y,1/4+z
4 3/4+x,3/4-y,1/4+z
5 x,1/2+y,1/2+z
6 -x,1/2-y,1/2+z
7 1/4-x,3/4+y,3/4+z
8 3/4+x,1/4-y,3/4+z
9 1/2+x,y,1/2+z
10 1/2-x,-y,1/2+z
11 3/4-x,1/4+y,3/4+z
12 1/4+x,3/4-y,3/4+z
13 1/2+x,1/2+y,z
14 1/2-x,1/2-y,z
15 3/4-x,3/4+y,1/4+z
16 1/4+x,1/4-y,1/4+z
_cell_length_a 15.105(3)
_cell_length_b 10.828(2)
_cell_length_c 11.933(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
F 0.64
N 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 S -0.18352(5) 0.22472(6) 0.23779(4)
N1 N -0.1756(2) 0.2197(2) 0.1009(2)
C1 C -0.25000 0.25000 0.0488(3)
C2 C -0.25000 0.25000 -0.0751(3)
C3 C -0.2285(2) 0.1446(2) -0.1366(2)
C4 C -0.2291(2) 0.1439(2) -0.2519(2)
C5 C -0.25000 0.25000 -0.3115(3)
C6 C -0.25000 0.25000 -0.4313(4)
N2 N -0.25000 0.25000 -0.5277(3)
F1 F -0.20979(12) 0.03906(14) -0.08275(14)
F2 F -0.21077(14) 0.0399(2) -0.30793(14)
S1M* S -0.31648(5) 0.27528(6) 0.23779(4)
N1M* N -0.3244(2) 0.2803(2) 0.1009(2)
C4M* C -0.2709(2) 0.3561(2) -0.2519(2)
C3M* C -0.2715(2) 0.3554(2) -0.1366(2)
F1M* F -0.29021(12) 0.46094(14) -0.08275(14)
F2M* F -0.28923(14) 0.4601(2) -0.30793(14)
2Â¥2011-07-21 12:59:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zcy800204

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
Originally posted by wangyang12 at 2011-07-21 01:27:36:
ÎÄÏ×Angew. Chem. Int.Ed. Engl. 1996,35,2533-2535

ÔÚref 10ÖÐ, compound 1beta

CCDC number: CCDC-179-93

лл¸÷λÇë°ïæÕÒÒ»ÏÂ

CCDCËÑËØ½á¹ûͼƬ

3Â¥2011-07-21 13:03:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wangyang12

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by zcy800204 at 2011-07-21 12:59:20:
data_CSD_CIF_YOMXUT01
_audit_creation_date 1997-07-21
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOMXUT01
_chemical_formula_sum 'C8 F4 N3 S2'
_symmetry_cell_setting orthorhombic ...

ллÄúµÄ°ïÖú£¬Äܲ»Äܰɾ§ÌåµÄcifÎļþ¸øÎÒÄØ£¬ÕâÑùÎÒ¿ÉÒÔÔÚÈí¼þÖдò¿ª¡£Ê®·Ö¸Ðл£¡
4Â¥2011-07-21 13:41:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[Óлú½»Á÷] ¶þ±½¼×ͪËáÀàÑÜÉúÎï 50+3 С°×°®Ö÷ÈË 2026-04-17 6/300 2026-04-17 18:47 by kf2781974
[¿¼ÑÐ] 320Çóµ÷¼Á +4 Éî½¼akm 2026-04-17 4/200 2026-04-17 17:32 by Ò»ÇÐOK
[¿¼ÑÐ] 0854Çóµ÷¼Á +21 ÃÅ·ÃþÃþ 2026-04-15 25/1250 2026-04-17 15:45 by qzxyhcsy
[¿¼ÑÐ] ±¾ÈËÅ®º¢ +8 ºðºð£¬ 2026-04-10 10/500 2026-04-17 11:28 by 4444si
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á? +4 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 4/200 2026-04-16 22:52 by wulijun2012
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +10 haoyunÉϰ¶ 2026-04-11 12/600 2026-04-16 22:21 by Öí»á·É
[¿¼ÑÐ] Çóµ÷¼Á +8 СÄô°®Ñ§Ï° 2026-04-16 10/500 2026-04-16 22:06 by 1shin_ichi
[¿¼ÑÐ] »¯Ñ§070300 Çóµ÷¼Á +28 ¹þ¹þ¹þ^_^ 2026-04-12 28/1400 2026-04-16 21:36 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[»ù½ðÉêÇë] RY£ºÖйú²ú³öµÄ¿ÆÑ§À¬»øÂÛÎÄ£¬¾ø¶ÔÊýÁ¿ºÍ±ÈÀý¶¼ÊÀ½çµÚÒ» +7 zju2000 2026-04-14 18/900 2026-04-16 11:36 by »¶ÀÖËÌÒ¶Ýè
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +7 Â꿨°Í¿¨boom 2026-04-11 7/350 2026-04-15 13:21 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] 105500ҩѧÇóµ÷¼Á +4 x_skys 2026-04-12 4/200 2026-04-14 13:37 by rndfc
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] 085408¹âµçÐÅÏ¢¹¤³Ìר˶355Ò»Ö¾Ô¸³¤´º¹â»úËùµ÷¼Á +6 Íõymaa 2026-04-13 13/650 2026-04-14 11:33 by Íõymaa
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +24 Ò¶zilin 2026-04-13 25/1250 2026-04-14 09:20 by ÊÔ¹ÜÆÆÁÑ
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +9 xu@841019 2026-04-11 10/500 2026-04-14 08:48 by ľľmumu¡«
[¿¼ÑÐ] Ò»Ö¾Ô¸Õã´óÉúÎï325·ÖÇóµ÷¼Á +9 zysheng 2026-04-12 9/450 2026-04-12 22:31 by yuyin1233
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] 339Çóµ÷¼Á +8 hanwudada 2026-04-11 9/450 2026-04-12 15:36 by laoshidan
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +16 Ò¶zilin 2026-04-10 16/800 2026-04-11 11:04 by may_ÐÂÓî
[¿¼ÑÐ] ũѧ0904 312Çóµ÷¼Á +6 Say Never 2026-04-10 6/300 2026-04-11 10:33 by wwj2530616
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û