Information card for entry 2009641

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: 6.9898 ± 0.0008 Å
• b: 7.3709 ± 0.0008 Å
• c: 13.41 ± 0.002 Å
• α: 90°
• β: 97.46 ± 0.01°
• γ: 90°
• Cell volume: 685.05 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0549
• Goodness-of-fit parameter for significantly intense reflections: 1.59
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No