Information card for entry 4500031

Structure parameters

• Formula: C32 H26
• Calculated formula: C32 H26
• SMILES: c1(c2ccccc2)c(c(c(c(c1C)c1ccccc1)c1ccccc1)C)c1ccccc1
• 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: 11.1336 ± 0.0002 Å
• b: 8.8786 ± 0.0001 Å
• c: 11.5617 ± 0.0002 Å
• α: 90°
• β: 95.395 ± 0.001°
• γ: 90°
• Cell volume: 1137.82 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No