Information card for entry 2017388

Structure parameters

• Chemical name: 2-[(2-hydroxyethyl)(methyl)amino]-1,1-diphenylethanol
• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: N(CCO)(C)CC(O)(c1ccccc1)c1ccccc1
• Title of publication: Crystal packing in the structures of diethanolamine derivatives
• Authors of publication: Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o587 - o592
• a: 9.3438 ± 0.0002 Å
• b: 15.9896 ± 0.0004 Å
• c: 10.9479 ± 0.0003 Å
• α: 90°
• β: 114.441 ± 0.001°
• γ: 90°
• Cell volume: 1489.08 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes