Crystallography Open Database

Information card for entry 7245403

Preview

Coordinates	7245403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 O3
Calculated formula	C16 H30 O3
SMILES	OC([C@H]1[C@H]2CCC(=C[C@@H](O)[C@@]2(CC1)C)C)(C)C.OC
Title of publication	Carotane sesquiterpenoids A–G from the desert endophytic fungus Fusarium sp. HM 166
Authors of publication	Zhang, Bing-Wen; Jiang, Li; Li, Zhuang; Gao, Xue-Hui; Cao, Fei; Lu, Xin-hua; Shen, Wen-Bin; Zhang, Xue-Xia; Kong, Fan-Dong; Luo, Du-Qiang
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	38
Pages of publication	24590 - 24595
a	6.42709 ± 0.00019 Å
b	8.2638 ± 0.0002 Å
c	30.7804 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1634.81 ± 0.09 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	0.0444
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277531 (current)	2022-09-01	cif/ Adding structures of 7245403 via cif-deposit CGI script.	7245403.cif