Crystallography Open Database

Information card for entry 7153806

Preview

Coordinates	7153806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N O2
Calculated formula	C16 H11 N O2
SMILES	N1c2ccccc2C(=C\C(=O)c2ccccc2)/C1=O
Title of publication	Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.
Authors of publication	Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	20
Pages of publication	3201 - 3210
a	4.896 Å
b	11.351 Å
c	21.44 Å
α	90°
β	90°
γ	90°
Cell volume	1191.52 Å³
Cell temperature	97 ± 2 K
Ambient diffraction temperature	97 ± 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	0.0407
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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