Crystallography Open Database

Information card for entry 1552661

Preview

Coordinates	1552661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 O5
Calculated formula	C19 H19 O5
SMILES	O=C1C=C(C2=C3C(CC[C@@]45[C@@H](C[C@H](OC5=O)[C@](O)([C@@]34O)C2)C)=C1)C
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	7.6465 ± 0.0001 Å
b	12.9601 ± 0.0002 Å
c	15.2245 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1508.74 ± 0.04 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	0.0363
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
222186 (current)	2019-11-04	cif/ Adding structures of 1552661 via cif-deposit CGI script.	1552661.cif