Information card for entry 2230693

Structure parameters

• Chemical name: [(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol
• Formula: C24 H25 N O
• Calculated formula: C24 H25 N O
• SMILES: CN1[C@H](CC[C@H]1C(c1ccccc1)(c1ccccc1)O)c1ccccc1
• Title of publication: [(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol
• Authors of publication: Zukerman-Schpector, Julio; Venturini Moro, Angélica; Lüdtke, Diogo S.; Correia, Carlos Roque D.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1807 - o1808
• a: 9.9672 ± 0.0002 Å
• b: 13.3376 ± 0.0002 Å
• c: 14.4369 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1919.22 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes