Information card for entry 4511813

Structure parameters

• Formula: C20 H14 N2
• Calculated formula: C20 H14 N2
• Title of publication: Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes
• Authors of publication: Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4781
• a: 3.9187 ± 0.0003 Å
• b: 11.9054 ± 0.001 Å
• c: 16.2554 ± 0.0014 Å
• α: 100.98 ± 0.001°
• β: 91.214 ± 0.001°
• γ: 94.833 ± 0.001°
• Cell volume: 741.31 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No