Crystallography Open Database

Information card for entry 7246176

Preview

Coordinates	7246176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N2 O P Se
Calculated formula	C18 H23 N2 O P Se
SMILES	[Se]=P(NCCN1CCOCC1)(c1ccccc1)c1ccccc1
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	6.8367 ± 0.0003 Å
b	28.7426 ± 0.0013 Å
c	9.8648 ± 0.0006 Å
α	90°
β	109.255 ± 0.005°
γ	90°
Cell volume	1830.04 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0564
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7246176.cif