Crystallography Open Database

Information card for entry 7158420

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Coordinates	7158420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 F N3
Calculated formula	C10 H8 F N3
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	15.8734 ± 0.0006 Å
b	17.3509 ± 0.0007 Å
c	6.6216 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1823.71 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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