Crystallography Open Database

Information card for entry 4037326

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Structure parameters

Formula	C22 H17 N O2
Calculated formula	C22 H17 N O2
SMILES	N1C(CC(=O)c2ccccc2)(c2ccccc2)C(=O)c2ccccc12
Title of publication	The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.
Authors of publication	Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	24
Pages of publication	12443 - 12450
a	13.5309 ± 0.0019 Å
b	12.5688 ± 0.0019 Å
c	10.2197 ± 0.0015 Å
α	90°
β	100.799 ± 0.003°
γ	90°
Cell volume	1707.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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