Crystallography Open Database

Information card for entry 7052141

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Structure parameters

Formula	C8 H F7 N2
Calculated formula	C8 H F7 N2
SMILES	c1(c2c(c(c(c(c2[nH]n1)F)F)F)F)C(F)(F)F
Title of publication	The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles
Authors of publication	Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	6
Pages of publication	936
a	12.5382 ± 0.0018 Å
b	12.5382 ± 0.0018 Å
c	4.9499 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	673.9 ± 0.19 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.1385
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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