Information card for entry 4104760

Structure parameters

• Chemical name: diindeno[1,2,3-bc:1',2',3'-ef]corannulene
• Formula: C32 H14
• Calculated formula: C32 H14
• SMILES: c1ccc2c3cc4ccc5c6c4c4c3c(c2c1)c1c2c(c3ccccc13)cc(cc5)c6c42
• 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: 22.801 ± 0.011 Å
• b: 19.793 ± 0.01 Å
• c: 3.9073 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1779
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No