Crystallography Open Database

Information card for entry 7246152

Preview

Coordinates	7246152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cl2 F4 N10
Calculated formula	C10 H8 Cl2 F4 N10
Title of publication	Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks
Authors of publication	Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	4
Pages of publication	2600 - 2610
a	10.95 ± 0.002 Å
b	7.2595 ± 0.0015 Å
c	9.637 ± 0.0019 Å
α	90°
β	97.03 ± 0.03°
γ	90°
Cell volume	760.3 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
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	0.0491
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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