Crystallography Open Database

Information card for entry 4114498

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Structure parameters

Formula	C67 H56
Calculated formula	C67 H56
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	12.8765 ± 0.0004 Å
b	15.4623 ± 0.0002 Å
c	12.7814 ± 0.0002 Å
α	107.723 ± 0.001°
β	94.605 ± 0.002°
γ	96.765 ± 0.001°
Cell volume	2388.91 ± 0.09 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.075
Weighted residual factors for all reflections	0.1181
Goodness-of-fit parameter for all reflections	2.003
Goodness-of-fit parameter for all reflections included in the refinement	2.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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