Crystallography Open Database

Information card for entry 7055014

Preview

Coordinates	7055014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 N4
Calculated formula	C30 H46 N4
SMILES	N1(/C(=N/c2c(C(C)C)cccc2C(C)C)Nc2c(C(C)C)cccc2C(C)C)CCN(CC1)C
Title of publication	Catalyst free C‒N bond formation by the reaction of amines with diimides: Bulky guanidines
Authors of publication	Baishya, Ashim; Peddarao, Thota; Barman, Milan Kumar; Nembenna, Sharanappa
Journal of publication	New J. Chem.
Year of publication	2015
a	9.405 ± 0.002 Å
b	17.12 ± 0.003 Å
c	18.715 ± 0.003 Å
α	90°
β	102.705 ± 0.01°
γ	90°
Cell volume	2939.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0724
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7055014.cif
152506	2015-07-24	cif/ Adding structures of 7055012, 7055013, 7055014 via cif-deposit CGI script.	7055014.cif