Information card for entry 2003964

Structure parameters

• Formula: C12 H9 N O2
• Calculated formula: C12 H9 N O2
• Title of publication: 3-Nitrobiphenyl
• Authors of publication: Rajnikant; Watkin, D.; Tranter, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2071 - 2073
• a: 7.414 ± 0.002 Å
• b: 11.981 ± 0.002 Å
• c: 22.826 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2027.6 ± 0.8 ų
• Cell temperature: 290 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0571
• Goodness-of-fit parameter for significantly intense reflections: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No