Crystallography Open Database

Information card for entry 1502843

Preview

Coordinates	1502843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 O6
Calculated formula	C28 H40 O6
SMILES	O=C1C[C@H]2[C@]3([C@H](C1(C)C)C[C@H](O)[C@@H]1[C@H]3[C@@]2(O)C[C@]2([C@]1(C(=O)C[C@@H]2[C@@H](CCC(=O)OC)C)C)C)C
Title of publication	Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense.
Authors of publication	Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	1656 - 1659
a	7.6814 ± 0.0001 Å
b	12.1284 ± 0.0001 Å
c	27.7022 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2580.82 ± 0.05 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	0.0432
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1502843.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502843.cif
36802	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502843 via cif-deposit CGI script.	1502843.cif