Crystallography Open Database

Information card for entry 7241627

Preview

Coordinates	7241627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N2
Calculated formula	C24 H18 N2
SMILES	N(c1ccccc1)c1ccc(c2ccc3[nH]c4c(c3c2)cccc4)cc1
Title of publication	Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes
Authors of publication	Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	69
Pages of publication	42164 - 42171
a	9.7054 ± 0.0002 Å
b	9.9914 ± 0.0002 Å
c	17.4974 ± 0.0003 Å
α	98.095 ± 0.001°
β	90.767 ± 0.001°
γ	90.03 ± 0.001°
Cell volume	1679.67 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259346 (current)	2020-11-30	cif/ Adding structures of 7241625, 7241626, 7241627 via cif-deposit CGI script.	7241627.cif