Information card for entry 2011794

Structure parameters

• Formula: C10 H23 N O4
• Calculated formula: C10 H23 N O4
• SMILES: [N+](C)(C)(Cc1ccccc1)C.[OH-].O.O.O
• Title of publication: Benzyltrimethylammonium hydroxide trihydrate containing hydroxide‒water layers
• Authors of publication: Wiebcke, Michael; Felsche, Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 306 - 308
• a: 6.337 ± 0.001 Å
• b: 8.028 ± 0.001 Å
• c: 12.169 ± 0.002 Å
• α: 80.53 ± 0.01°
• β: 84.12 ± 0.01°
• γ: 85.4 ± 0.01°
• Cell volume: 606.16 ± 0.16 ų
• Cell temperature: 183 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 significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes