Crystallography Open Database

Information card for entry 1516826

Preview

Coordinates	1516826.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ganodermalactone C
Formula	C32 H46 O6
Calculated formula	C32 H46 O6
SMILES	C1CC(=O)OC([C@H]2[C@]1(C1=C(CC2)[C@]2([C@@](CC1)(C)[C@H](CC2)[C@@H]([C@H]1OC(=O)C(=CC1)C)C)C)COC(=O)C)(C)C
Title of publication	Triterpene Lactones from Cultures of Ganoderma sp. KM01.
Authors of publication	Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	7
Pages of publication	1545 - 1553
a	9.264 ± 0.0001 Å
b	10.161 ± 0.0003 Å
c	30.399 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2861.5 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.087
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516826.cif
121297	2014-08-05	cif/ Updating files of 1516826, 1516827, 1516828 Original log message: Adding full bibliography for 1516826--1516828.cif.	1516826.cif
118997	2014-07-05	cif/ Adding structures of 1516826, 1516827, 1516828 via cif-deposit CGI script.	1516826.cif