Information card for entry 1520366

Structure parameters

• Formula: C8 H5 N3 O2
• Calculated formula: C8 H5 N3 O2
• Title of publication: C8H5N3O2
• Authors of publication: Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 714
• a: 19.7544 ± 0.0004 Å
• b: 7.0169 ± 0.0001 Å
• c: 11.6931 ± 0.0002 Å
• α: 90°
• β: 103.21 ± 0.001°
• γ: 90°
• Cell volume: 1577.95 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No