Crystallography Open Database

Information card for entry 4101548

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Coordinates	4101548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H46 Si
Calculated formula	C58 H46 Si
Title of publication	Electrochemistry, spectroscopy, and electrogenerated chemiluminescence of silole-based chromophores.
Authors of publication	Sartin, Matthew M; Boydston, Andrew J; Pagenkopf, Brian L; Bard, Allen J
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	31
Pages of publication	10163 - 10170
a	14.5294 ± 0.0005 Å
b	13.9634 ± 0.0006 Å
c	22.6549 ± 0.001 Å
α	90°
β	107.056 ± 0.003°
γ	90°
Cell volume	4394.1 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.198
Residual factor for significantly intense reflections	0.1006
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.324
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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