Crystallography Open Database

Information card for entry 1554835

Preview

Coordinates	1554835.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Z)-N'-mesitylpivalimidamide
Formula	C14 H22 N2
Calculated formula	C14 H22 N2
SMILES	C(=N\c1c(cc(C)cc1C)C)(/C(C)(C)C)N
Title of publication	Base-stabilized nitrilium ions as convenient imine synthons.
Authors of publication	van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	6
Pages of publication	1461 - 1464
a	26.3163 ± 0.0012 Å
b	26.3163 ± 0.0012 Å
c	10.403 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6239.3 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238143 (current)	2019-11-24	cif/ Adding structures of 1554830, 1554831, 1554832, 1554833, 1554834, 1554835 via cif-deposit CGI script.	1554835.cif