Information card for entry 4116944

Structure parameters

• Formula: C36 H16
• Calculated formula: C36 H16
• Title of publication: Versatile Synthetic Route to and DSC Analysis of Dehydrobenzoannulenes: Crystal Structure of a Heretofore Inaccessible [20]Annulene Derivative
• Authors of publication: Michael M. Haley; Michael L. Bell; Jamieson J. English; Charles A. Johnson; Timothy J. R. Weakley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 2956 - 2957
• a: 16.223 ± 0.004 Å
• b: 12.601 ± 0.003 Å
• c: 24.378 ± 0.008 Å
• α: 90°
• β: 90.16 ± 0.03°
• γ: 90°
• Cell volume: 4983 ± 2 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0411
• Goodness-of-fit parameter for significantly intense reflections: 1.625
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No