Crystallography Open Database

Information card for entry 7109470

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Coordinates	7109470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H54
Calculated formula	C90 H54
Title of publication	One-pot synthesis of sterically congested large aromatic hydrocarbons via 1,4-diphenyl-2,3-triphenylyne
Authors of publication	Diego Rodriguez-Lojo; Dolores Perez; Diego Pena; Enrique Guitian
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	6274
a	16.4992 ± 0.0004 Å
b	17.0089 ± 0.0003 Å
c	27.7954 ± 0.0006 Å
α	94.751 ± 0.001°
β	92.785 ± 0.001°
γ	118.86 ± 0.005°
Cell volume	6772.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0664
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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