Information card for entry 4500036

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c1(c2ccccc2)c(cc(c(c1)c1ccccc1)c1ccccc1)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: 5.853 ± 0.0002 Å
• b: 7.4229 ± 0.0003 Å
• c: 11.8341 ± 0.0005 Å
• α: 83.8 ± 0.002°
• β: 89.608 ± 0.002°
• γ: 81.588 ± 0.002°
• Cell volume: 505.62 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No