Crystallography Open Database

Information card for entry 7158134

Preview

Coordinates	7158134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 O4
Calculated formula	C11.95 H13.9 O4
Title of publication	Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
Authors of publication	Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	27
Pages of publication	6030 - 6037
a	15.6505 ± 0.0004 Å
b	4.3519 ± 0.0001 Å
c	17.2668 ± 0.0005 Å
α	90°
β	115.015 ± 0.004°
γ	90°
Cell volume	1065.72 ± 0.06 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268921 (current)	2021-09-06	cif/ Updating files of 7158134, 7158135, 7158136, 7158137, 7158138 Original log message: Adding full bibliography for 7158134--7158138.cif.	7158134.cif
266631	2021-06-23	cif/ Adding structures of 7158134, 7158135, 7158136, 7158137, 7158138 via cif-deposit CGI script.	7158134.cif