Crystallography Open Database

Information card for entry 4108239

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Coordinates	4108239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 F5 O5
Calculated formula	C32 H33 F5 O5
Title of publication	Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon
Authors of publication	Rui Xu; W. Bernd Schweizer; Holger Frauenrath
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11437 - 11445
a	5.928 ± 0.0004 Å
b	7.487 ± 0.0005 Å
c	32.386 ± 0.001 Å
α	87.02 ± 0.0009°
β	87.03 ± 0.0008°
γ	86.46 ± 0.001°
Cell volume	1431 ± 0.14 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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	0.3898
Residual factor for significantly intense reflections	0.3575
Weighted residual factors for all reflections included in the refinement	0.7172
Goodness-of-fit parameter for all reflections included in the refinement	5.893
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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