Crystallography Open Database

Information card for entry 7125586

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Coordinates	7125586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 N2 O4 S
Calculated formula	C38 H50 N2 O4 S
Title of publication	Improving the compatibility of fullerene acceptors with fluorene-containing donor-polymers in organic photovoltaic devices.
Authors of publication	Kuhlmann, Jan-Carlos; de Bruyn, Paul; Bouwer, Ricardo K. M.; Meetsma, Auke; Blom, Paul W. M.; Hummelen, Jan C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	38
Pages of publication	7232 - 7234
a	11.464 ± 0.003 Å
b	12.033 ± 0.003 Å
c	14.111 ± 0.004 Å
α	83.464 ± 0.004°
β	81.891 ± 0.004°
γ	69.071 ± 0.003°
Cell volume	1795.7 ± 0.8 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
244110 (current)	2019-11-28	cif/ Adding structures of 7125586 via cif-deposit CGI script.	7125586.cif