Crystallography Open Database

Information card for entry 1544815

Preview

Coordinates	1544815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 O6
Calculated formula	C17 H18 O6
SMILES	O(C)C(=O)[C@H]1[C@]2(Oc3c(C2=O)cc(O)cc3)[C@@H](CC1)C(=C)CO
Title of publication	Spiro Meroterpenoids from Ganoderma applanatum.
Authors of publication	Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	1
Pages of publication	61 - 70
a	6.1006 ± 0.0001 Å
b	15.0443 ± 0.0002 Å
c	16.0425 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1472.37 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0274
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
191356 (current)	2017-02-04	cif/ Updating files of 1544815 Original log message: Adding full bibliography for 1544815.cif.	1544815.cif
189276	2016-12-21	cif/ Adding structures of 1544815 via cif-deposit CGI script.	1544815.cif