Information card for entry 7224289

Structure parameters

• Chemical name: 9,10-Diphenylanthracene
• Formula: C26 H18
• Calculated formula: C26 H18
• SMILES: c1c2c(ccc1)c(c1ccccc1c2c1ccccc1)c1ccccc1
• Title of publication: X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene
• Authors of publication: Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2173
• a: 10.4702 ± 0.0009 Å
• b: 13.3923 ± 0.001 Å
• c: 12.0158 ± 0.0011 Å
• α: 90°
• β: 89.931 ± 0.008°
• γ: 90°
• Cell volume: 1684.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No