Crystallography Open Database

Information card for entry 1554834

Preview

Coordinates	1554834.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Z)-N-mesityl-N'-phenylpivalimidamide
Formula	C20 H26 N2
Calculated formula	C20 H26 N2
SMILES	N(C(=N\c1ccccc1)/C(C)(C)C)c1c(cc(cc1C)C)C
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	8.693 ± 0.001 Å
b	17.464 ± 0.002 Å
c	11.525 ± 0.001 Å
α	90°
β	103.69 ± 0.01°
γ	90°
Cell volume	1700 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
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	0.0515
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
238143 (current)	2019-11-24	cif/ Adding structures of 1554830, 1554831, 1554832, 1554833, 1554834, 1554835 via cif-deposit CGI script.	1554834.cif