Crystallography Open Database

Information card for entry 7246177

Preview

Coordinates	7246177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O
Calculated formula	C22 H22 N2 O
SMILES	N(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc1
Title of publication	A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones
Authors of publication	Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	5
Pages of publication	3020 - 3032
a	10.242 ± 0.012 Å
b	15.493 ± 0.018 Å
c	11.726 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	1861 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.4657
Residual factor for significantly intense reflections	0.1139
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.3236
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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
280455 (current)	2023-01-20	cif/ Adding structures of 7246176, 7246177, 7246178, 7246179 via cif-deposit CGI script.	7246177.cif