Crystallography Open Database

Information card for entry 7156987

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Coordinates	7156987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 N O4
Calculated formula	C22 H17 N O4
Title of publication	Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.
Authors of publication	Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	32
Pages of publication	7517 - 7525
a	11.7123 ± 0.0012 Å
b	11.9264 ± 0.0014 Å
c	14.137 ± 0.0015 Å
α	88.483 ± 0.004°
β	70.167 ± 0.004°
γ	75.429 ± 0.004°
Cell volume	1794.1 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	0.817
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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