Crystallography Open Database

Information card for entry 7247464

Preview

Coordinates	7247464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N7 O11
Calculated formula	C16 H11 N7 O11
Title of publication	Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons
Authors of publication	Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	41
Pages of publication	5827 - 5833
a	26.806 ± 0.004 Å
b	7.7681 ± 0.001 Å
c	20.357 ± 0.003 Å
α	90°
β	112.251 ± 0.003°
γ	90°
Cell volume	3923.3 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1105
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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