Crystallography Open Database

Information card for entry 1570938

Preview

Coordinates	1570938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 Cl N3 O2
Calculated formula	C26 H18 Cl N3 O2
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	30.834 ± 0.0015 Å
b	7.832 ± 0.0002 Å
c	22.5177 ± 0.0011 Å
α	90°
β	132.054 ± 0.008°
γ	90°
Cell volume	4037.7 ± 0.6 Å³
Cell temperature	261 ± 2 K
Ambient diffraction temperature	261 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2537
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
290852 (current)	2024-04-05	cif/ Updating files of 1570938, 1570939, 1570940, 1570941, 1570942 Original log message: Adding full bibliography for 1570938--1570942.cif.	1570938.cif
289722	2024-02-07	cif/ Adding structures of 1570938, 1570939, 1570940, 1570941, 1570942 via cif-deposit CGI script.	1570938.cif