Crystallography Open Database

Information card for entry 7249948

Preview

Coordinates	7249948.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4Z,8S,9R,12E,14E)-9-Hydroxy-1-isopropyl-8,12-dimethyl_oxabicyclo[9.3.2]-hexadeca-4,12,14-trien-18-one
Formula	C20 H30 O3
Calculated formula	C20 H30 O3
Title of publication	Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity
Authors of publication	Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	6
Pages of publication	4702 - 4707
a	7.6524 ± 0.0002 Å
b	13.8446 ± 0.0003 Å
c	17.0676 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1808.22 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0315
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
297717 (current)	2025-02-13	cif/ Adding structures of 7249948, 7249949, 7249950 via cif-deposit CGI script.	7249948.cif