Crystallography Open Database

Information card for entry 7202802

7202801 << 7202802 >> 7202803

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Structure parameters

Formula	C12 H4 F8 N2
Calculated formula	C12 H4 F8 N2
SMILES	Fc1c(N)c(F)c(F)c(c1F)c1c(F)c(F)c(N)c(F)c1F
Title of publication	Structural consequences of benzidine dihydrochloride substitution in the solid state
Authors of publication	Dobrzycki, Lukasz; Woźniak, Krzysztof
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	1029
a	10.7907 ± 0.0004 Å
b	8.9839 ± 0.0004 Å
c	23.175 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2246.64 ± 0.15 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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