Information card for entry 2008275

Structure parameters

• Formula: C12 H7 N3 O2
• Calculated formula: C12 H7 N3 O2
• Title of publication: 1-Nitrobenzo[<i>c</i>]cinnoline
• Authors of publication: Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 383 - 385
• a: 7.894 ± 0.001 Å
• b: 13.892 ± 0.001 Å
• c: 9.556 ± 0.001 Å
• α: 90°
• β: 103.28 ± 0.02°
• γ: 90°
• Cell volume: 1019.9 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No