Crystallography Open Database

Information card for entry 7130747

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Coordinates	7130747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N18 O11
Calculated formula	C10 H16 N18 O11
Title of publication	An advanced primary explosive and secondary explosive based on zwitterionic pyrazole-triazole derivative
Authors of publication	Tang, Jie; Xiong, Hualin; Zhang, Guojie; tang, yongying; Yang, Hongwei; Cheng, Guangbin
Journal of publication	Chemical Communications
Year of publication	2022
a	18.7708 ± 0.0011 Å
b	7.4519 ± 0.0004 Å
c	16.546 ± 0.001 Å
α	90°
β	110.017 ± 0.002°
γ	90°
Cell volume	2174.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0678
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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