Information card for entry 3500075

Structure parameters

• Formula: C7 H9 N3 O3
• Calculated formula: C7 H9 N3 O3
• Authors of publication: Miguel N. Moreno-Carretero
• Journal of publication: Personal communication to COD
• Year of publication: 2018
• a: 8.9021 ± 0.0009 Å
• b: 9.6475 ± 0.001 Å
• c: 9.567 ± 0.0009 Å
• α: 90°
• β: 107.713 ± 0.004°
• γ: 90°
• Cell volume: 782.69 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes