Information card for entry 1554068

Structure parameters

• Common name: 9,10-Diphenylanthracene
• Formula: C26 H18
• Calculated formula: C26 H18
• SMILES: c12c(c3c(c(c1cccc2)c1ccccc1)cccc3)c1ccccc1
• Title of publication: Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis
• Authors of publication: Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 3
• Pages of publication: 1831
• a: 9.216 ± 0.002 Å
• b: 21.111 ± 0.005 Å
• c: 10.041 ± 0.002 Å
• α: 90°
• β: 111.404 ± 0.004°
• γ: 90°
• Cell volume: 1818.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No