Crystallography Open Database

Information card for entry 7059936

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Coordinates	7059936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 N10 O10
Calculated formula	C15 H8 N10 O10
Title of publication	An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative
Authors of publication	Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	37
Pages of publication	15849 - 15856
a	26.618 ± 0.01 Å
b	15.497 ± 0.006 Å
c	9.32 ± 0.003 Å
α	90°
β	97.757 ± 0.01°
γ	90°
Cell volume	3809 ± 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	0.1762
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.2653
Weighted residual factors for all reflections included in the refinement	0.3001
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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