Crystallography Open Database

Information card for entry 1556776

Preview

Coordinates	1556776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 N4 O4
Calculated formula	C22 H26 N4 O4
SMILES	c1(ccccn1)/C=C/C(=O)NCCCCCCNC(=O)/C=C/c1ccccn1.O.O
Title of publication	Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.
Authors of publication	Garai, Mousumi; Biradha, Kumar
Journal of publication	IUCrJ
Year of publication	2015
Journal volume	2
Journal issue	Pt 5
Pages of publication	523 - 533
a	7.6364 ± 0.0014 Å
b	30.058 ± 0.005 Å
c	4.8885 ± 0.0009 Å
α	90°
β	95.523 ± 0.006°
γ	90°
Cell volume	1116.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.2052
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
246056 (current)	2019-12-26	cif/ Adding structures of 1556771, 1556772, 1556773, 1556774, 1556775, 1556776, 1556777, 1556778, 1556779, 1556780, 1556781 via cif-deposit CGI script.	1556776.cif