Crystallography Open Database

Information card for entry 7227448

Preview

Coordinates	7227448.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sd310-20
Formula	C22 H32 O4
Calculated formula	C22 H32 O4
SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C2CC[C@](C=C)([C@@H]1OC(=O)C)C)C
Title of publication	Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus
Authors of publication	Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	8
Pages of publication	4387
a	9.4327 ± 0.0006 Å
b	13.1356 ± 0.0009 Å
c	16.737 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2073.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0722
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
190582 (current)	2017-01-17	cif/ Adding structures of 7227446, 7227447, 7227448 via cif-deposit CGI script.	7227448.cif