Information card for entry 4024425

Structure parameters

• Chemical name: 2-(Diisopropylamino)propane-1,3-diol
• Formula: C9 H21 N O2
• Calculated formula: C9 H21 N O2
• 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: 7.4601 ± 0.0007 Å
• b: 7.5153 ± 0.0007 Å
• c: 11.1194 ± 0.001 Å
• α: 86.462 ± 0.002°
• β: 72.485 ± 0.002°
• γ: 64.207 ± 0.001°
• Cell volume: 533.53 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No