Information card for entry 4104759

Structure parameters

• Chemical name: monoindeno[1,2,3-bc]corannulene
• Formula: C26 H12
• Calculated formula: C26 H12
• SMILES: c1cc2ccc3cc4c5ccccc5c5cc6ccc1c1c2c3c(c61)c45
• 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: 3.8711 ± 0.0005 Å
• b: 31.278 ± 0.004 Å
• c: 12.2437 ± 0.0016 Å
• α: 90°
• β: 93.423 ± 0.002°
• γ: 90°
• Cell volume: 1479.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.1492
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No