Crystallography Open Database

Information card for entry 4110924

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Structure parameters

Formula	C82 H76 Cl6 O6 Si2
Calculated formula	C82 H76 Cl6 O6 Si2
Title of publication	Conjugated Polymers in an Arene Sandwich
Authors of publication	Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12426 - 12427
a	13.0097 ± 0.0005 Å
b	13.0237 ± 0.0005 Å
c	13.3955 ± 0.0005 Å
α	113.905 ± 0.001°
β	113.704 ± 0.001°
γ	96.758 ± 0.001°
Cell volume	1790 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0376
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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