Crystallography Open Database

Information card for entry 1569002

Preview

Coordinates	1569002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H104 O12
Calculated formula	C76 H104 O12
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	9.5123 ± 0.0001 Å
b	11.7533 ± 0.0002 Å
c	16.8232 ± 0.0002 Å
α	109.487 ± 0.001°
β	90.441 ± 0.001°
γ	100.671 ± 0.001°
Cell volume	1737.54 ± 0.04 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1569002.cif
282949	2023-05-03	cif/ Adding structures of 1568996, 1568997, 1568998, 1568999, 1569000, 1569001, 1569002 via cif-deposit CGI script.	1569002.cif