Crystallography Open Database

Information card for entry 8106925

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Coordinates	8106925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 F2 N2 O2
Calculated formula	C16 H12 F2 N2 O2
Title of publication	Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
Authors of publication	Li, Jiang-Tao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	511 - 512
a	8.777 ± 0.0008 Å
b	8.8227 ± 0.0008 Å
c	10.194 ± 0.0009 Å
α	75.08 ± 0.008°
β	73.618 ± 0.008°
γ	74.829 ± 0.008°
Cell volume	716.43 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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