Information card for entry 2000574

Structure parameters

• Formula: C6 H12 N8 O9
• Calculated formula: C6 H10 N8 O8
• Title of publication: Structure of an oxonium salt crystal complex
• Authors of publication: Simonsen, O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1900 - 1902
• a: 6.511 ± 0.004 Å
• b: 7.18 ± 0.005 Å
• c: 14.01 ± 0.01 Å
• α: 80.57 ± 0.07°
• β: 78.93 ± 0.06°
• γ: 81.55 ± 0.05°
• Cell volume: 629.6 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.197362
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0696
• Goodness-of-fit parameter for all reflections: 2.817
• Goodness-of-fit parameter for significantly intense reflections: 3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No