Crystallography Open Database

Information card for entry 7239549

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Coordinates	7239549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 N2 O6
Calculated formula	C32 H44 N2 O6
Title of publication	Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques
Authors of publication	Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio
Journal of publication	Journal of Materials Chemistry A
Year of publication	2014
Journal volume	2
Journal issue	10
Pages of publication	3536
a	15.0473 ± 0.0008 Å
b	18.1959 ± 0.001 Å
c	10.7775 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2950.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
244764 (current)	2019-11-28	cif/ Adding structures of 7239549 via cif-deposit CGI script.	7239549.cif