Crystallography Open Database

Information card for entry 1556775

Preview

Coordinates	1556775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 N4 O6
Calculated formula	C18 H18 N4 O6
SMILES	O=C(/C=C/c1ncccc1)NCCNC(=O)/C=C/c1ncccc1.O.O.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	9.353 ± 0.0006 Å
b	10.9015 ± 0.0007 Å
c	19.9985 ± 0.0014 Å
α	90°
β	94.547 ± 0.002°
γ	90°
Cell volume	2032.7 ± 0.2 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	0.099
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.279
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.	1556775.cif