Crystallography Open Database

Information card for entry 7232390

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Coordinates	7232390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 N6 O4
Calculated formula	C47 H34 N6 O4
Title of publication	Copper-catalyzed cross-dehydrogenative coupling between quinazoline-3-oxides and indoles
Authors of publication	Yang, Qin; Yin, Zhijian; Zheng, Lifang; Yuan, Jianjun; Wei, Song; Ding, Qiuping; Peng, Yiyuan
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	11
Pages of publication	5870
a	9.5458 ± 0.0004 Å
b	11.2817 ± 0.0006 Å
c	18.8823 ± 0.0008 Å
α	80.822 ± 0.004°
β	83.839 ± 0.003°
γ	85.407 ± 0.004°
Cell volume	1991.75 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0873
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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