Crystallography Open Database

Information card for entry 1552662

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Structure parameters

Formula	C19 H20 O4
Calculated formula	C19 H20 O4
SMILES	O[C@@]12[C@H]3[C@H]4OC(=O)[C@@]1([C@@H](C4)C)CCc1c2c(c(cc(=O)c1)C)C3
Title of publication	17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.
Authors of publication	Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	6
Pages of publication	1565 - 1575
a	10.0126 ± 0.0003 Å
b	11.8286 ± 0.0004 Å
c	12.3462 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1462.22 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0332
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1552662.cif
222187	2019-11-04	cif/ Adding structures of 1552662 via cif-deposit CGI script.	1552662.cif