Crystallography Open Database

Information card for entry 7237187

Preview

Coordinates	7237187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H4 N4 O4
Calculated formula	C7 H4 N4 O4
Title of publication	Azasydnone ‒ novel “green” building block for designing high energetic compounds
Authors of publication	Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	38
Pages of publication	18669
a	12.608 ± 0.003 Å
b	5.6499 ± 0.0011 Å
c	12.102 ± 0.002 Å
α	90°
β	110.626 ± 0.004°
γ	90°
Cell volume	806.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
237472 (current)	2019-11-24	cif/ Adding structures of 7237187, 7237188, 7237189, 7237190, 7237191, 7237192, 7237193, 7237194 via cif-deposit CGI script.	7237187.cif