Crystallography Open Database

Information card for entry 7241320

Preview

Coordinates	7241320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 N2 O3
Calculated formula	C31 H22 N2 O3
SMILES	C1(c2ccccc2)(c2cc(c(c3ccccc3)o2)C(=O)c2ccccc2)NC(=O)c2ccccc2N1
Title of publication	Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold
Authors of publication	Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	59
Pages of publication	35681 - 35691
a	8.2197 ± 0.0002 Å
b	10.4608 ± 0.0002 Å
c	14.4752 ± 0.0003 Å
α	77.0948 ± 0.0008°
β	79.6924 ± 0.0008°
γ	81.5655 ± 0.0009°
Cell volume	1186.21 ± 0.04 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1111
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
256823 (current)	2020-09-29	cif/ Adding structures of 7241320, 7241321 via cif-deposit CGI script.	7241320.cif