Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 1566  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

±¦±¦1986

Ìú³æ (СÓÐÃûÆø)

[ÇóÖú] Ë­ÄܰïÎÒÓÃCCDC²éһϻ¯ºÏÎïµÄµ¥¾§Êý¾Ý

Âé·³¸ßÊÖ°ïÎÒ²éһϻ¯ºÏÎïµÄµ¥¾§Êý¾Ý
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

cluster8676

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
nash603(½ð±Ò+6): chilajiao¸øÄúµÄ£¬Ð»Ð»ÄúµÄ°ïæ! 2011-04-29 10:54:54
ÒýÓûØÌû:
Originally posted by chilajiao at 2011-04-28 04:27:04:
ÇëÎʲ鵽Õâ¸öÎïÖʵÄÐÅÏ¢ºóÈçºÎµ¼³ö£¿Ð»Ð»ÁË

ÔÚfileÏÂÀ­¿òÀïÃæÓиöexport entries as

Èçͼ£¬È»ºóÑ¡Ôñcurrent entry only£¬È»ºó°´ÄãµÄÐèҪѡÔñpure cif »¹ÊÇ ÒªMIFºÍCSD¡£ÏÂÃæµÄÊÇÑ¡Ôñ·¾¶£¬±£´æ
ѧÎÞÖ¹¾³
5Â¥2011-04-28 21:54:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

zhaoruili

ľ³æ (СÓÐÃûÆø)

ÄãµÄÄǸöMcÊÇʲô»ùÍÅѽ£¡
·ÊÇ×Ô¼ºÒ»²½Ò»²½×ß³öÀ´µÄ£¬µ½µ×ÄÜ×ßµ½ÄÄÀÄÇ»¹µÃ¿´Äã×Ô¼º¡£
2Â¥2011-04-28 09:13:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cluster8676

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

±¦±¦1986(½ð±Ò+10): 2011-04-28 23:00:34
cif Îļþ


data_CSD_CIF_RUVROP
_audit_creation_date 1998-03-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUVROP
_chemical_formula_sum 'C18 H22 O5'
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2-y,1/2+z
3 -x,-y,-z
4 -1/2-x,-1/2+y,-1/2-z
_cell_length_a 10.399(1)
_cell_length_b 5.806(1)
_cell_length_c 28.126(2)
_cell_angle_alpha 90
_cell_angle_beta 93.02(1)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.34132(11) 0.6362(2) 0.41707(4)
O2 O 0.19905(12) 0.3114(2) 0.44747(4)
O3 O 0.00106(10) 0.2113(2) 0.24119(3)
O4 O -0.34932(10) 0.3466(2) 0.09287(4)
O5 O -0.23090(11) 0.6997(2) 0.06126(4)
C1 C 0.1979(2) 0.4259(3) 0.30278(6)
C2 C 0.2731(2) 0.5587(3) 0.33436(6)
C3 C 0.27195(13) 0.5172(3) 0.38276(5)
C4 C 0.19447(14) 0.3404(3) 0.39922(5)
C5 C 0.11923(15) 0.2122(3) 0.36742(5)
C6 C 0.12075(14) 0.2532(3) 0.31854(5)
C7 C 0.0401(2) 0.1024(3) 0.28498(6)
C8 C -0.0970(2) 0.3790(4) 0.24672(6)
C9 C -0.13503(14) 0.4744(3) 0.19863(5)
C10 C -0.22677(14) 0.3622(3) 0.16910(5)
C11 C -0.25912(13) 0.4425(3) 0.12400(5)
C12 C -0.19664(14) 0.6371(3) 0.10690(5)
C13 C -0.1070(2) 0.7506(3) 0.13628(6)
C14 C -0.0771(2) 0.6689(3) 0.18182(6)
C15 C 0.4142(2) 0.8291(4) 0.40262(9)
C16 C 0.1244(3) 0.1301(5) 0.46593(7)
C17 C -0.4182(2) 0.1514(4) 0.10831(8)
C18 C -0.1582(3) 0.8793(4) 0.04052(8)
H1 H 0.1995(14) 0.4544(27) 0.2689(6)
H2 H 0.3262(15) 0.6808(29) 0.3231(6)
H3 H 0.0640(14) 0.0981(26) 0.3785(5)
H4 H 0.0898(15) -0.0315(33) 0.2742(6)
H5 H -0.0367(15) 0.0514(28) 0.3032(6)
H6 H -0.0621(16) 0.5027(31) 0.2703(6)
H7 H -0.1704(16) 0.3026(28) 0.2615(6)
H8 H -0.2662(14) 0.2259(28) 0.1809(5)
H9 H -0.0614(15) 0.8829(29) 0.1244(6)
H10 H -0.0152(17) 0.7465(30) 0.2026(6)
H11 H 0.4508(20) 0.8929(36) 0.4324(8)
H12 H 0.3628(20) 0.9430(39) 0.3854(7)
H13 H 0.4798(18) 0.7769(32) 0.3802(6)
H14 H 0.0237(21) 0.1626(34) 0.4592(7)
H15 H 0.1424(23) -0.0307(47) 0.4520(8)
H16 H 0.1458(18) 0.1311(31) 0.4986(7)
H17 H -0.4707(18) 0.1101(31) 0.0806(7)
H18 H -0.3618(18) 0.0217(36) 0.1175(7)
H19 H -0.4748(18) 0.1914(32) 0.1349(7)
H20 H -0.0615(24) 0.8365(39) 0.0402(8)
H21 H -0.1931(18) 0.8916(35) 0.0089(8)
H22 H -0.1690(21) 1.0305(43) 0.0581(8)
ѧÎÞÖ¹¾³
3Â¥2011-04-28 09:20:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chilajiao

½ð³æ (ÖªÃû×÷¼Ò)

É¼Ò×åNo.1

ÓÅÐã°æÖ÷

¡ï ¡ï ¡ï ¡ï ¡ï
nash603(½ð±Ò-5): ´ú¿Û¸øcluster8676 2011-04-29 10:54:29
ÒýÓûØÌû:
Originally posted by cluster8676 at 2011-04-28 09:20:44:
cif Îļþ


data_CSD_CIF_RUVROP
_audit_creation_date 1998-03-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUVROP
_chemical_formula_sum 'C18 H22 O5'
_symmetry_cell_setting mon ...

ÇëÎʲ鵽Õâ¸öÎïÖʵÄÐÅÏ¢ºóÈçºÎµ¼³ö£¿Ð»Ð»ÁË
Ö»°®ÀÖ¶ù
4Â¥2011-04-28 17:27:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +16 »ý¼«ÏòÉÏ£» 2026-04-10 18/900 2026-04-13 16:48 by fenglj492
[¿¼ÑÐ] 271Çóµ÷¼Á +30 2261744733 2026-04-11 34/1700 2026-04-13 15:24 by Kilig0317
[¿¼ÑÐ] È˹¤ÖÇÄÜ320µ÷¼Á08¹¤À໹Óлú»áÂð +15 Õñ¡ªTZ 2026-04-10 16/800 2026-04-13 14:11 by ÕÅzhihao
[¿¼ÑÐ] ²ÄÁÏ085601µ÷¼Á +30 ºÎÈó²É123 2026-04-10 32/1600 2026-04-13 09:51 by szhize
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¹¤085600 331·Ö +7 ÌìÏÂww 2026-04-09 7/350 2026-04-13 09:01 by lhj2009
[¿¼ÑÐ] 290µ÷¼ÁÉúÎï0860 +28 ÍÛ¹þ¹þ£¬¡£ 2026-04-11 31/1550 2026-04-13 01:16 by ÐÒÃâ ..
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] 086000µ÷¼Á +6 Ê®Æßsa 2026-04-07 6/300 2026-04-12 11:05 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] µ÷¼Á +10 ÔÂ@163.com 2026-04-11 10/500 2026-04-12 09:14 by zhouyuwinner
[¿¼ÑÐ] 284Çóµ÷¼Á +11 archer.. 2026-04-09 12/600 2026-04-11 20:23 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 283Çóµ÷¼Á 086004¿¼Ó¢¶þÊý¶þ +17 ÄǸöàà×Ó 2026-04-10 18/900 2026-04-11 16:27 by Ã÷Ô´ËʱÓÐ
[¿¼ÑÐ] 085410-273Çóµ÷¼Á +6 X1999 2026-04-10 6/300 2026-04-11 10:32 by Delta2012
[¿¼ÑÐ] 346£¬¹¤¿ÆÇóµ÷¼Á +3 moser233 2026-04-09 3/150 2026-04-11 10:04 by zhq0425
[¿¼ÑÐ] ¼ª´ó¼ÆËã»ú¼¼Êõ331·Ö£¬Ó¢ÓïÁù¼¶£¬Çóµ÷¼Á +3 ·å·å021116 2026-04-09 3/150 2026-04-10 20:01 by chemisry
[¿¼ÑÐ] Çóµ÷¼Á +5 ²»»á·ÉµÄÓã@ 2026-04-10 5/250 2026-04-10 19:07 by chemisry
[¿¼ÑÐ] Çó»úеר˶297µÚ¶þÅúµ÷¼Á +5 ʰÆâ12¡£ 2026-04-08 5/250 2026-04-09 16:43 by Ôʵ±ÊʶÈ
[¿¼ÑÐ] 085400µç×ÓÐÅÏ¢Àࣨ´¨´ó¿ØÖƹ¤³Ì£©Çóµ÷¼Á¿É¿çרҵ ÇóÀÏʦÁªÏµ +3 626776879 2026-04-08 3/150 2026-04-09 16:05 by Öí»á·É
[¿¼ÑÐ] 296Çóµ÷¼Á +3 Íô£¡£¿£¡ 2026-04-08 3/150 2026-04-08 22:00 by zhouyuwinner
[¿¼ÑÐ] 388Çóµ÷¼Á +6 ËÄ´¨ÍõÌÎ 2026-04-07 8/400 2026-04-08 00:17 by JourneyLucky
[¿¼ÑÐ] 333Çóµ÷¼Á +6 ºÏ³ËÑîϰϦ 2026-04-06 6/300 2026-04-07 09:44 by Öí»á·É
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û