Crystallography Open Database

Information card for entry 4116427

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Coordinates	4116427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30
Calculated formula	C38 H30
Title of publication	Molecular Packing in Unsubstituted Semiconducting Phenylenevinylene Oligomer and Polymer
Authors of publication	Paul F. van Hutten; Jurjen Wildeman; Auke Meetsma; Georges Hadziioannou
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	5910 - 5918
a	16.072 ± 0.001 Å
b	7.538 ± 0.001 Å
c	32.914 ± 0.002 Å
α	90°
β	103.349 ± 0.003°
γ	90°
Cell volume	3879.8 ± 0.6 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.238
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2114
Weighted residual factors for all reflections included in the refinement	0.2632
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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