Crystallography Open Database

Information card for entry 7159769

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Coordinates	7159769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2 O
Calculated formula	C15 H12 N2 O
Title of publication	Visible-light photocatalyzed C–N bond activation of tertiary amines: a three-component approach to synthesize quinazolines
Authors of publication	Arumugam, Ajithkumar; Senadi, Gopal Chandru
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	6
Pages of publication	1245 - 1253
a	6.0428 ± 0.0011 Å
b	20.506 ± 0.004 Å
c	9.995 ± 0.002 Å
α	90°
β	106.928 ± 0.006°
γ	90°
Cell volume	1184.9 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.0588
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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