Crystallography Open Database

Information card for entry 1569930

Preview

Coordinates	1569930.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2R,4R,5S,7S,9R)-eremophila-1(10),11-dien-2,9-diol
Formula	C15.33333 H25.33333 O2.33333
Calculated formula	C15.3333 H25.3333 O2.33333
SMILES	O[C@H]1C=C2[C@]([C@@H](C1)C)(C[C@@H](C[C@H]2O)C(=C)C)C.OC
Title of publication	Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.
Authors of publication	Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang
Journal of publication	Food & function
Year of publication	2023
Journal volume	14
Journal issue	21
Pages of publication	9755 - 9766
a	8.1552 ± 0.0006 Å
b	20.429 ± 0.002 Å
c	27.192 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4530.3 ± 0.7 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.1099
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1569930.cif
287351	2023-11-06	cif/ Updating files of 1569929, 1569930 Original log message: Adding full bibliography for 1569929--1569930.cif.	1569930.cif
286478	2023-09-23	cif/ Adding structures of 1569929, 1569930 via cif-deposit CGI script.	1569930.cif