Information card for entry 4108995

Structure parameters

• Common name: tetraindenocorannulene
• Chemical name: tetraindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1''',2''',3'''-kl]corannulene
• Formula: C44 H18
• Calculated formula: C44 H18
• SMILES: c12c3c4c5c6c7c3c(cc1cc1c3c2c4c2c(c3c3c1cccc3)c1ccccc1c2c5c1c6cccc1)c1ccccc71
• 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: 8.555 ± 0.003 Å
• b: 26.233 ± 0.008 Å
• c: 11.072 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2484.8 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No