Crystallography Open Database

Information card for entry 1568956

Preview

Coordinates	1568956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H48 F6 N2 O4
Calculated formula	C62 H48 F6 N2 O4
Title of publication	Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.
Authors of publication	Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5460 - 5469
a	10.764 ± 0.0004 Å
b	15.5751 ± 0.0005 Å
c	29.2364 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4901.5 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.052
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
284224 (current)	2023-06-05	cif/ Updating files of 1568955, 1568956 Original log message: Adding full bibliography for 1568955--1568956.cif.	1568956.cif
282829	2023-04-26	cif/ Adding structures of 1568955, 1568956 via cif-deposit CGI script.	1568956.cif