Crystallography Open Database

Information card for entry 7107639

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Coordinates	7107639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H29 N3 O
Calculated formula	C47 H29 N3 O
Title of publication	Spirally configured cis-stilbene/fluorene hybrids as bipolar, organic sensitizers for solar cell applications
Authors of publication	Wei-Shan Chao; Ken-Hsien Liao; Chien-Tien Chen; Wei-Kai Huang; Chi-Ming Lan; Eric Wei-Guang Diau
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	4884
a	12.7113 ± 0.0003 Å
b	18.3451 ± 0.0004 Å
c	19.6813 ± 0.0005 Å
α	63.048 ± 0.001°
β	84.449 ± 0.001°
γ	74.869 ± 0.001°
Cell volume	3947.93 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1981
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2565
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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