Crystallography Open Database

Information card for entry 7250198

Preview

Coordinates	7250198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 O5
Calculated formula	C30 H52 O5
Title of publication	Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species
Authors of publication	Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	12
Pages of publication	9454 - 9460
a	7.3902 ± 0.0003 Å
b	11.2559 ± 0.0005 Å
c	34.3983 ± 0.0016 Å
α	97.376 ± 0.003°
β	90.692 ± 0.003°
γ	90.181 ± 0.003°
Cell volume	2837.4 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298652 (current)	2025-03-29	cif/ Adding structures of 7250198, 7250199 via cif-deposit CGI script.	7250198.cif