Information card for entry 4104761

Structure parameters

• Chemical name: diindeno[1,2,3-bc:1',2',3'-hi]corannulene
• Formula: C32 H14
• Calculated formula: C32 H14
• SMILES: c1c2c3c4c5c(cc6c7ccccc7c(c46)c2)cc2c4ccccc4c4c2c5c3c(c1)c4
• 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: 26.018 ± 0.005 Å
• b: 9.2556 ± 0.0016 Å
• c: 7.6909 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No