Information card for entry 2005584

Structure parameters

• Chemical name: 5-Phenylindazole
• Formula: C13 H10 N2
• Calculated formula: C13 H10 N2
• Title of publication: 5-Phenylindazole
• Authors of publication: Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2894 - 2896
• a: 5.974 ± 0.0004 Å
• b: 8.2261 ± 0.0007 Å
• c: 40.685 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 0.456
• Goodness-of-fit parameter for significantly intense reflections: 0.424
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No