Information card for entry 4112345

Structure parameters

• Common name: azobenzene
• Chemical name: (E)-1,2-diphenyldiazene
• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• Title of publication: X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals
• Authors of publication: Jun Harada; Keiichiro Ogawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3539 - 3544
• a: 12.1902 ± 0.0013 Å
• b: 5.7856 ± 0.0006 Å
• c: 15.2364 ± 0.0016 Å
• α: 90°
• β: 112.426 ± 0.002°
• γ: 90°
• Cell volume: 993.32 ± 0.18 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No