Information card for entry 1519905

Structure parameters

• Formula: C10 H20 N2 O5
• Calculated formula: C10 H20 N2 O5
• SMILES: C(=O)(C(CC(=O)OC)N1CC[NH+](CC1)C)[O-].O
• Title of publication: C10H20N2O5
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 564
• a: 6.5398 ± 0.0002 Å
• b: 9.4992 ± 0.0004 Å
• c: 10.2235 ± 0.0003 Å
• α: 91.506 ± 0.002°
• β: 91.388 ± 0.002°
• γ: 107.346 ± 0.002°
• Cell volume: 605.68 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0653
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1151
• 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: No
• Has Fobs: No