Crystallography Open Database

Information card for entry 1572393

Preview

Coordinates	1572393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 N16 O14 S4
Calculated formula	C20 H28 N16 O14 S4
Title of publication	An advanced furoxan-bridged heat-resistant explosive.
Authors of publication	Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	22
Pages of publication	5701 - 5708
a	23.6344 ± 0.0006 Å
b	8.8105 ± 0.0002 Å
c	18.3794 ± 0.0005 Å
α	90°
β	110.356 ± 0.001°
γ	90°
Cell volume	3588.15 ± 0.16 Å³
Cell temperature	193 K
Ambient diffraction temperature	193.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296721 (current)	2024-12-06	cif/ Updating files of 1572391, 1572392, 1572393, 1572394 Original log message: Adding full bibliography for 1572391--1572394.cif.	1572393.cif
294210	2024-08-24	cif/ Adding structures of 1572391, 1572392, 1572393 via cif-deposit CGI script.	1572393.cif