Crystallography Open Database

Information card for entry 4022993

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Structure parameters

Formula	C33 H27 N3 O3
Calculated formula	C33 H27 N3 O3
SMILES	O=n1c(cccc1C(C(=O)N(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1)C
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	9.8097 ± 0.0011 Å
b	16.7962 ± 0.0018 Å
c	17.0633 ± 0.0019 Å
α	90°
β	105 ± 0.006°
γ	90°
Cell volume	2715.6 ± 0.5 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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