Crystallography Open Database

Information card for entry 1568997

Preview

Coordinates	1568997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 O2
Calculated formula	C19 H26 O2
SMILES	O(c1ccc([C@@H]2[C@@H](O)[C@](C=C)(CC[C@H]2C(=C)C)C)cc1)C
Title of publication	Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.
Authors of publication	Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	21
Pages of publication	5699 - 5704
a	6.55997 ± 0.00012 Å
b	14.3262 ± 0.0003 Å
c	17.4645 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1641.3 ± 0.06 Å³
Cell temperature	149.95 ± 0.1 K
Ambient diffraction temperature	149.95 ± 0.1 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	0.058
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
284243 (current)	2023-06-05	cif/ Updating files of 1568996, 1568997, 1568998, 1568999, 1569000, 1569001, 1569002 Original log message: Adding full bibliography for 1568996--1569002.cif.	1568997.cif
282949	2023-05-03	cif/ Adding structures of 1568996, 1568997, 1568998, 1568999, 1569000, 1569001, 1569002 via cif-deposit CGI script.	1568997.cif