Crystallography Open Database

Information card for entry 1515460

Preview

Coordinates	1515460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N2 O4
Calculated formula	C26 H30 N2 O4
SMILES	CCCCCCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCCCCC
Title of publication	A fully self-assembled non-symmetric triad for photoinduced charge separation
Authors of publication	Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	4
Pages of publication	676
a	4.8231 ± 0.0002 Å
b	8.3044 ± 0.0003 Å
c	14.264 ± 0.0006 Å
α	96.566 ± 0.002°
β	97.473 ± 0.002°
γ	92.996 ± 0.002°
Cell volume	561.44 ± 0.04 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1532
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2574
Weighted residual factors for all reflections included in the refinement	0.305
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515460.cif
111818	2014-04-28	cif/ Adding structures of 1515460 via cif-deposit CGI script.	1515460.cif