Information card for entry 2019738
Chemical name
<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylphosphorothioic triamide
Formula
C18 H36 N3 P S
Calculated formula
C18 H36 N3 P S
SMILES
C1(CCCCC1)NP(NC1CCCCC1)(=S)NC1CCCCC1
Title of publication
Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate
Authors of publication
Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud
Journal of publication
Acta Crystallographica Section C
Year of publication
2014
Journal volume
70
Journal issue
12
a
9.0897 ± 0.0007 Å
b
18.6342 ± 0.0015 Å
c
12.2598 ± 0.0008 Å
α
90°
β
90°
γ
90°
Cell volume
2076.6 ± 0.3 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
5
Space group number
62
Hermann-Mauguin space group symbol
P n m a
Hall space group symbol
-P 2ac 2n
Residual factor for all reflections
0.0723
Residual factor for significantly intense reflections
0.0463
Weighted residual factors for significantly intense reflections
0.1134
Weighted residual factors for all reflections included in the refinement
0.1304
Goodness-of-fit parameter for all reflections included in the refinement
1.8
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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https://www.crystallography.net/2019738.html