Crystallography Open Database

Information card for entry 2311851

Preview

Coordinates	2311851.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>rac</i>-<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'-methyl-<i>N</i>''-(<i>p</i>-tolyl)phosphoric triamide
Formula	C20 H34 N3 O P
Calculated formula	C20 H34 N3 O P
SMILES	[P](=O)(N(C1CCCCC1)C)(NC1CCCCC1)Nc1ccc(cc1)C
Title of publication	Syntheses and structures of four new mixed-amide phosphoric triamides.
Authors of publication	Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2016
Journal volume	72
Journal issue	Pt 3
Pages of publication	251 - 259
a	10.9207 ± 0.0004 Å
b	24.0557 ± 0.0007 Å
c	24.3993 ± 0.0008 Å
α	90°
β	98.98 ± 0.003°
γ	90°
Cell volume	6331.3 ± 0.4 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 K
Number of distinct elements	5
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	0.0851
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for all reflections	0.1577
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
246139 (current)	2019-12-26	cif/ Adding structures of 2311850, 2311851, 2311852, 2311853 via cif-deposit CGI script.	2311851.cif