Information card for entry 2009642

Structure parameters

• Chemical name: 3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide
• Formula: C13 H18 Br N O2
• Calculated formula: C13 H18 Br N O2
• Title of publication: Absolute configuration of (I) (‒)-(3<i>S</i>,4<i>R</i>)- and (II) (‒)-(3<i>S</i>,4<i>S</i>)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide
• Authors of publication: Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 560 - 562
• a: 9.711 ± 0.002 Å
• b: 9.928 ± 0.002 Å
• c: 13.765 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0369
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No