Crystallography Open Database

Information card for entry 1552660

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Structure parameters

Formula	C19 H24 O4
Calculated formula	C19 H24 O4
SMILES	O1[C@@H]2[C@@H]3[C@@H]4[C@]([C@@H](C2)C)(CC[C@H]2C4=C([C@H](C[C@H](O)C2)C)C3=O)C1=O
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	9.0757 ± 0.0002 Å
b	10.2698 ± 0.0002 Å
c	16.8446 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1570.01 ± 0.05 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.98 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	0.0329
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	1552660.cif
222185	2019-11-04	cif/ Adding structures of 1552660 via cif-deposit CGI script.	1552660.cif