Crystallography Open Database

Information card for entry 1504444

Preview

Coordinates	1504444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H54 O7
Calculated formula	C33.5 H54 O7
Title of publication	Antimicrobial triterpenoids from Vladimiria muliensis.
Authors of publication	Chen, Jian-Jun; Fei, Dong-Qing; Chen, Sheng-Gao; Gao, Kun
Journal of publication	Journal of natural products
Year of publication	2008
Journal volume	71
Journal issue	4
Pages of publication	547 - 550
a	32.341 ± 0.014 Å
b	8.429 ± 0.003 Å
c	12.051 ± 0.005 Å
α	90°
β	95.82 ± 0.03°
γ	90°
Cell volume	3268 ± 2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504444.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504444.cif
42064	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504444 via cif-deposit CGI script.	1504444.cif