Information card for entry 4108994

Structure parameters

• Common name: pentaindenocorannulene
• Chemical name: pentaindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1'''',2'''',3''''-no]corannulene
• Formula: C53.5 H24
• Calculated formula: C53.5 H24
• Title of publication: Pentaindenocorannulene and Tetraindenocorannulene: New Aromatic Hydrocarbon π Systems with Curvatures Surpassing That of C60
• Authors of publication: Edward A. Jackson; Brian D. Steinberg; Mihail Bancu; Atsushi Wakamiya; Lawrence T. Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 484 - 485
• a: 16.19 ± 0.005 Å
• b: 27.376 ± 0.008 Å
• c: 14.093 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6246 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 2
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No