Crystallography Open Database

Information card for entry 4103712

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Coordinates	4103712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34
Calculated formula	C38 H34
Title of publication	Direct Assembly of Polyarenes via C-C Coupling Using PIFA/BF3.Et2O
Authors of publication	Enrico Faggi; Rosa M. Sebastián; Roser Pleixats; Adelina Vallribera; Alexandr Shafir; Alejandra Rodríguez-Gimeno; Carmen Ramírez de Arellano
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17980 - 17982
a	24.806 ± 0.002 Å
b	9.6651 ± 0.0008 Å
c	24.423 ± 0.002 Å
α	90°
β	106.87 ± 0.02°
γ	90°
Cell volume	5603.5 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	2
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	0.802
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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