Information card for entry 4024427

Structure parameters

• Chemical name: 2,3-Bis(diisopropylamino)-1-propanol
• Formula: C15 H34 N2 O
• Calculated formula: C15 H34 N2 O
• SMILES: OCC(N(C(C)C)C(C)C)CN(C(C)C)C(C)C
• 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: 10.9485 ± 0.0006 Å
• b: 11.1399 ± 0.0006 Å
• c: 14.3517 ± 0.0008 Å
• α: 90°
• β: 103.7 ± 0.001°
• γ: 90°
• Cell volume: 1700.61 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No