Information card for entry 4024426

Structure parameters

• Chemical name: 2-(2,2,6,6-Tetramethyl-1-piperidinyl)propane-1,3-diol
• Formula: C12 H25 N O2
• Calculated formula: C12 H25 N O2
• SMILES: OCC(N1C(CCCC1(C)C)(C)C)CO
• Title of publication: Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State
• Authors of publication: Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2671 - 2678
• a: 7.2537 ± 0.0015 Å
• b: 12.906 ± 0.003 Å
• c: 14.907 ± 0.003 Å
• α: 65.765 ± 0.004°
• β: 85.429 ± 0.004°
• γ: 83.2 ± 0.004°
• Cell volume: 1262.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No