Information card for entry 1554066

Structure parameters

• Formula: C26 H18
• Calculated formula: C26 H18
• 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: 9.4051 ± 0.0009 Å
• b: 20.2644 ± 0.0019 Å
• c: 9.9777 ± 0.0009 Å
• α: 90°
• β: 113.003 ± 0.009°
• γ: 90°
• Cell volume: 1750.4 ± 0.3 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8514
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No