Crystallography Open Database

Information card for entry 7158418

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Coordinates	7158418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 F N2
Calculated formula	C9 H7 F N2
Title of publication	Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.
Authors of publication	Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	20
Journal issue	1
Pages of publication	219 - 227
a	9.9462 ± 0.0008 Å
b	11.8055 ± 0.0009 Å
c	7.1741 ± 0.0007 Å
α	90°
β	109.811 ± 0.005°
γ	90°
Cell volume	792.53 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0835
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2489
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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