Information card for entry 4104762

Structure parameters

• Chemical name: triindeno[1,2,3-bc:1',2',3'-ef:1'',2'',3''-hi]corannulene
• Formula: C38.25 H16 S0.5
• Calculated formula: C38.25 H16 S0.5
• Title of publication: Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations
• Authors of publication: Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10537 - 10545
• a: 25.578 ± 0.004 Å
• b: 4.0865 ± 0.0006 Å
• c: 42.62 ± 0.007 Å
• α: 90°
• β: 101.367 ± 0.003°
• γ: 90°
• Cell volume: 4367.5 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No