Information card for entry 4108768

Structure parameters

• Chemical name: 9,10,11,12,13,14-Hexaphenyl-15-oxo-9,14-dihydro-9,14- methanobenzo[h]naphtho[2,3-f]quinoline Bis(dichloromethane) Solvate
• Formula: C60 H41 Cl4 N O
• Calculated formula: C60 H41 Cl4 N O
• Title of publication: Configurationally Stable Longitudinally Twisted Polycyclic Aromatic Compounds
• Authors of publication: Robert S. Walters; Christina M. Kraml; Neal Byrne; Douglas M. Ho; Qian Qin; Frederick J. Coughlin; Stefan Bernhard; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16435 - 16441
• a: 12.8717 ± 0.0007 Å
• b: 14.1496 ± 0.001 Å
• c: 14.7329 ± 0.001 Å
• α: 62.804 ± 0.002°
• β: 80.102 ± 0.004°
• γ: 84.972 ± 0.003°
• Cell volume: 2351 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No