Information card for entry 2007352

Structure parameters

• Chemical name: 3-methyl-r-2,t-3,c-5-triphenylpyrrolidine
• Formula: C23 H23 N
• Calculated formula: C23 H23 N
• SMILES: N1[C@@H]([C@@](C[C@@H]1c1ccccc1)(C)c1ccccc1)c1ccccc1.N1[C@H]([C@](C[C@H]1c1ccccc1)(C)c1ccccc1)c1ccccc1
• Title of publication: Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine
• Authors of publication: Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 867 - 870
• a: 24.52 ± 0.02 Å
• b: 6.369 ± 0.006 Å
• c: 22.4 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3498 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.154
• Weighted residual factors for significantly intense reflections: 0.1355
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No