Crystallography Open Database

Information card for entry 7239379

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Coordinates	7239379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 N O4
Calculated formula	C24 H17 N O4
Title of publication	Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C‒H functionalisations
Authors of publication	Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	17
Pages of publication	8558
a	6.2208 ± 0.0003 Å
b	12.7931 ± 0.0005 Å
c	13.3551 ± 0.0005 Å
α	113.491 ± 0.002°
β	91.551 ± 0.002°
γ	97.433 ± 0.002°
Cell volume	962.95 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0441
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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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