Information card for entry 2014188

Structure parameters

• Chemical name: 2-(2, 2, 6, 6-Tetramethylpiperidin-1-yloxy)propane-1,3-diol
• Formula: C12 H25 N O3
• Calculated formula: C12 H25 N O3
• SMILES: N1(OC(CO)CO)C(CCCC1(C)C)(C)C
• Title of publication: A supramolecular ladder motif in 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propane-1,3-diol
• Authors of publication: Schmittel, Michael; Lal, Mukul; Schlosser, Marc; Deiseroth, Hans-Jörg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o589 - o591
• a: 14.6525 ± 0.0013 Å
• b: 14.6357 ± 0.0008 Å
• c: 6.1793 ± 0.0005 Å
• α: 90°
• β: 93.801 ± 0.01°
• γ: 90°
• Cell volume: 1322.23 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No