Crystallography Open Database

Information card for entry 7062009

7062008 << 7062009 >> 7062010

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Coordinates	7062009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 O3
Calculated formula	C22 H18 O3
Title of publication	A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones
Authors of publication	Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	45
Pages of publication	21906 - 21910
a	15.5619 ± 0.0006 Å
b	12.6968 ± 0.0009 Å
c	17.5458 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3466.8 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1724
Residual factor for significantly intense reflections	0.125
Weighted residual factors for significantly intense reflections	0.2978
Weighted residual factors for all reflections included in the refinement	0.3596
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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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