Crystallography Open Database

Information card for entry 1572141

Preview

Coordinates	1572141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 N2 O2 S
Calculated formula	C48 H34 N2 O2 S
Title of publication	Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.
Authors of publication	Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	32
Pages of publication	13001 - 13010
a	14.6095 ± 0.0011 Å
b	17.9909 ± 0.0012 Å
c	14.0147 ± 0.001 Å
α	90°
β	104.842 ± 0.007°
γ	90°
Cell volume	3560.7 ± 0.5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0642
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294462 (current)	2024-09-06	cif/ Updating files of 1572140, 1572141, 1572142 Original log message: Adding full bibliography for 1572140--1572142.cif.	1572141.cif
293448	2024-07-18	cif/ Adding structures of 1572140, 1572141, 1572142 via cif-deposit CGI script.	1572141.cif