Crystallography Open Database

Information card for entry 2311852

Preview

Coordinates	2311852.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexyl-<i>N</i>''-methylphosphoric triamide
Formula	C19 H38 N3 O P2
Calculated formula	C19 H38 N3 O P
SMILES	P(=O)(NC1CCCCC1)(NC1CCCCC1)N(C1CCCCC1)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	21.9179 ± 0.001 Å
b	8.9546 ± 0.0004 Å
c	20.3544 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3994.9 ± 0.4 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 K
Number of distinct elements	5
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	0.146
Residual factor for significantly intense reflections	0.124
Weighted residual factors for all reflections	0.3318
Weighted residual factors for significantly intense reflections	0.3133
Weighted residual factors for all reflections included in the refinement	0.3261
Goodness-of-fit parameter for all reflections included in the refinement	1.2148
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.	2311852.cif