Crystallography Open Database

Information card for entry 7237191

Preview

Coordinates	7237191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H3 N5 O6
Calculated formula	C7 H3 N5 O6
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	9.893 ± 0.003 Å
b	18.586 ± 0.006 Å
c	9.943 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1828.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7237191.cif