Crystallography Open Database

Information card for entry 7153823

Preview

Coordinates	7153823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 O5
Calculated formula	C30 H54 O5
SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)[C@@H](O)C[C@@]1([C@@H]2CC[C@H]2[C@]1(C[C@H](O)[C@@H]2[C@](O)(C)CCC=C(C)C)C)C)C.O
Title of publication	Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.
Authors of publication	Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	26
Pages of publication	4716 - 4722
a	10.5637 ± 0.0003 Å
b	13.2734 ± 0.0003 Å
c	20.6274 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2892.3 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153823.cif
119506	2014-07-07	cif/ Updating files of 7153823 Original log message: Adding full bibliography for 7153823.cif.	7153823.cif
113434	2014-05-12	cif/ Adding structures of 7153823 via cif-deposit CGI script.	7153823.cif