Crystallography Open Database

Information card for entry 7159991

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Coordinates	7159991.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Quinazolinone
Formula	C21 H13 N3 O
Calculated formula	C21 H13 N3 O
Title of publication	Green light-mediated dual eosin Y/PdII-catalyzed C(sp2)–H arylation of N–H unprotected 2-arylquinazolinone
Authors of publication	Mondal, Shuvam; Jana, Ranjan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	4.7332 ± 0.0002 Å
b	20.9652 ± 0.0008 Å
c	16.241 ± 0.0006 Å
α	90°
β	94.249 ± 0.001°
γ	90°
Cell volume	1607.21 ± 0.11 Å³
Cell temperature	122 K
Ambient diffraction temperature	122 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	0.0451
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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