Crystallography Open Database

Information card for entry 4022997

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Structure parameters

Formula	C20 H16 N2 O2
Calculated formula	C20 H16 N2 O2
SMILES	O=C(c1nc(ccc1)C)C(=O)N(c1ccccc1)c1ccccc1
Title of publication	Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides
Authors of publication	Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	9195 - 9202
a	9.6324 ± 0.0002 Å
b	12.4812 ± 0.0003 Å
c	14.0456 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1688.62 ± 0.06 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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