Crystallography Open Database

Information card for entry 1503683

Preview

Coordinates	1503683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 O10
Calculated formula	C31.5 H38 O10
SMILES	O1C(=O)C[C@@H]2[C@@]34O[C@H]4[C@H]4C(=O)[C@]([C@@H](C([C@H]4OC(=O)[C@H](CC)C)(C)C)CC(=O)OC)([C@]43O[C@H]4C[C@@]2([C@H]1c1cocc1)C)C
Title of publication	Tetranortriterpenoids from the Leaves of Cipadessa cinerascens.
Authors of publication	Fang, Xin; Di, Ying-Tong; Li, Chun-Shun; Geng, Zhao-Liang; Zhang, Zhen; Zhang, Yu; Lu, Yang; Zheng, Qi-Tai; Yang, Shi-Yin; Hao, Xiao-Jiang
Journal of publication	Journal of natural products
Year of publication	2009
Journal volume	72
Journal issue	4
Pages of publication	714 - 718
a	16.991 Å
b	9.914 Å
c	19.319 Å
α	90°
β	110.71°
γ	90°
Cell volume	3043.98 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1503683.cif
135583	2015-05-05	cif/1-2: Fixing some formulae and Z values	1503683.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503683.cif
38981	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503683 via cif-deposit CGI script.	1503683.cif