Crystallography Open Database

Information card for entry 7060641

Preview

Coordinates	7060641.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-phenylquinazolin
Formula	C14 H10 N2
Calculated formula	C14 H10 N2
Title of publication	Mn(iii)-mediated cascade cyclization of 1-(azidomethyl)-2-isocyanoarenes with organoboronic acids: construction of quinazoline derivatives
Authors of publication	Kumar, Gujjenahalli Ramalingaiah Yogesh; Begum, Noor Shahina
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	22
Pages of publication	9811 - 9817
a	18.604 ± 0.005 Å
b	5.0525 ± 0.0012 Å
c	11.244 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1056.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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