Crystallography Open Database

Information card for entry 1570941

Preview

Coordinates	1570941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N O4
Calculated formula	C20 H17 N O4
Title of publication	Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.
Authors of publication	An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	4114 - 4120
a	6.0112 ± 0.0001 Å
b	15.7452 ± 0.0002 Å
c	19.7395 ± 0.0002 Å
α	83.775 ± 0.001°
β	82.422 ± 0.001°
γ	80.271 ± 0.001°
Cell volume	1818.23 ± 0.04 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
290852 (current)	2024-04-05	cif/ Updating files of 1570938, 1570939, 1570940, 1570941, 1570942 Original log message: Adding full bibliography for 1570938--1570942.cif.	1570941.cif
289722	2024-02-07	cif/ Adding structures of 1570938, 1570939, 1570940, 1570941, 1570942 via cif-deposit CGI script.	1570941.cif