Information card for entry 2218195

Structure parameters

• Chemical name: 3,5,7-Tripropyl-1-azaadamantane-4,6,10-triol
• Formula: C18 H33 N O3
• Calculated formula: C18 H33 N O3
• SMILES: OC1C2(CN3CC(C2O)(C(C1(C3)CCC)O)CCC)CCC
• Title of publication: 3,5,7-Tripropyl-1-azaadamantane-4,6,10-triol
• Authors of publication: Saaidi, Pierre-Lo\?ïc; Chazal, Pierre-Etienne; Maurin, Philippe; Jeanneau, Erwann; Hasserodt, Jens
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o803 - o804
• a: 13.1922 ± 0.0002 Å
• b: 22.6174 ± 0.0005 Å
• c: 13.1144 ± 0.0003 Å
• α: 90°
• β: 114.447 ± 0.001°
• γ: 90°
• Cell volume: 3562.17 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0564
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes