Information card for entry 8104811

Structure parameters

• Common name: bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate
• Chemical name: bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate
• Formula: C9 H24 N2 O7
• Calculated formula: C9 H24 N2 O7
• Title of publication: The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 297 - 299
• a: 11.1646 ± 0.0007 Å
• b: 6.3264 ± 0.0004 Å
• c: 18.6926 ± 0.0009 Å
• α: 90°
• β: 97.5994 ± 0.0018°
• γ: 90°
• Cell volume: 1308.69 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No