Information card for entry 4500032

Structure parameters

• Formula: C77 H59
• Calculated formula: C77 H59
• Title of publication: Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents
• Authors of publication: Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Pages of publication: 648 - 657
• a: 38.2531 ± 0.0007 Å
• b: 11.7127 ± 0.0002 Å
• c: 24.218 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10850.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No