Crystallography Open Database

Information card for entry 4114497

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Structure parameters

Formula	C46 H40
Calculated formula	C46 H40
Title of publication	Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer
Authors of publication	Tamaki Nakano; Tohru Yade
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	15474 - 15484
a	13.2214 ± 0.0003 Å
b	13.3664 ± 0.0002 Å
c	19.0154 ± 0.0001 Å
α	90°
β	92.523 ± 0.001°
γ	90°
Cell volume	3357.19 ± 0.09 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.0847
Goodness-of-fit parameter for all reflections	1.283
Goodness-of-fit parameter for all reflections included in the refinement	1.283
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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