Information card for entry 4108767

Structure parameters

• Chemical name: 9,10,19,21-Tetraphenyldiphenanthro[9,10-b:9,10-h]carbazole Bis(1,2-dichloroethane) Solvate
• Formula: C64 H45 Cl4 N
• Calculated formula: C64 H45 Cl4 N
• 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: 13.7735 ± 0.0003 Å
• b: 21.8039 ± 0.0004 Å
• c: 16.3499 ± 0.0003 Å
• α: 90°
• β: 98.217 ± 0.001°
• γ: 90°
• Cell volume: 4859.73 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No