Crystallography Open Database

Information card for entry 4035048

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Structure parameters

Formula	C17 H15 N O3
Calculated formula	C17 H15 N O3
SMILES	O1C(=O)C(NC(=O)C)(c2c1ccc(c2)C)c1ccccc1
Title of publication	Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.
Authors of publication	Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	17
Pages of publication	10089 - 10096
a	15.5766 ± 0.0003 Å
b	14.06756 ± 0.00019 Å
c	21.4444 ± 0.0004 Å
α	90°
β	106.56 ± 0.0019°
γ	90°
Cell volume	4504.09 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0743
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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