Crystallography Open Database

Information card for entry 7226017

Preview

Coordinates	7226017.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pseuboydone A
Formula	C15 H22 O2
Calculated formula	C15 H22 O2
SMILES	O=C1[C@@H]([C@@H]2[C@@H]3[C@H](CC[C@@H](C2=C1)C)[C@]3(CO)C)C
Title of publication	Secondary Metabolites with Chemical Diversity from the Marine-derived Fungus Pseudallescheria boydii F19-1 and Their Cytotoxic Activity
Authors of publication	Lan, Wenjian; Wang, Kunteng; Xu, Meng-Yang; Zhang, Jingjing; Lam, Chi-Keung; Zhong, Guohua; Xu, Jun; Yang, Depo; Li, Houjin; Wang, Laiyou
Journal of publication	RSC Adv.
Year of publication	2016
a	8.681 ± 0.0002 Å
b	8.7004 ± 0.0003 Å
c	17.2976 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1306.46 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0424
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
184642 (current)	2016-07-23	cif/ Adding structures of 7226017 via cif-deposit CGI script.	7226017.cif