Information card for entry 4023594

Structure parameters

• Common name: bicorannulenyl
• Chemical name: bicorannulenyl
• Formula: C40 H18
• Calculated formula: C40 H18
• Title of publication: Bicorannulenyl: Stereochemistry of a C~40~H~18~ Biaryl Composed of Two Chiral Bowls
• Authors of publication: David Eisenberg; Alexander S. Filatov; Edward A. Jackson; Mordecai Rabinovitz; Marina A. Petrukhina; Lawrence T. Scott; Roy Shenhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6073 - 6078
• a: 7.7559 ± 0.0009 Å
• b: 19.609 ± 0.002 Å
• c: 30.304 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4608.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2063
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No