Crystallography Open Database

Information card for entry 7111615

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Structure parameters

Formula	C20 H14 N2
Calculated formula	C20 H14 N2
SMILES	n1c2c(c(nc1c1ccccc1)c1ccccc1)cccc2
Title of publication	A novel and efficient methodology for the construction of quinazolines based on supported copper oxide nanoparticles
Authors of publication	Zhang, Jintang; Yu, Chenmin; Wang, Sujing; Wan, Changfeng; Wang, Zhiyong
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5244 - 5246
a	10.633 Å
b	6.965 Å
c	19.786 Å
α	90°
β	99.74°
γ	90°
Cell volume	1444.21 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111615.cif
180230	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111615.cif
96701	2014-01-29	cif/ Adding structures of 7111615 via cif-deposit CGI script.	7111615.cif