Information card for entry 2003293

Structure parameters

• Chemical name: (2RS,1'SR)-4,4-Dimethyl-1-hydroxy-2-[1'-phenethyl]pyrrolidine
• Formula: C14 H21 N O
• Calculated formula: C14 H21 N O
• Title of publication: (2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol
• Authors of publication: Bernardinelli, G.; Oppolzer, W.; Spivey, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 529 - 530
• a: 10.579 ± 0.002 Å
• b: 11.618 ± 0.002 Å
• c: 11.886 ± 0.003 Å
• α: 90°
• β: 110.293 ± 0.008°
• γ: 90°
• Cell volume: 1370.2 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 2.107
• Goodness-of-fit parameter for significantly intense reflections: 2.89
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No