Information card for entry 2202924

Structure parameters

• Formula: C18 H28 N2
• Calculated formula: C18 H28 N2
• SMILES: C[C@@H]1CC[C@H](N1c1ccccc1N1[C@H](C)CC[C@H]1C)C
• Title of publication: 1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-dimethylpyrrolidin-1-yl]benzene
• Authors of publication: Fallon, Gary D.; Illesinghe, Jayamini; Campi, Eva M.; Jackson, W. Roy; Robinson, Andrea J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1163 - o1164
• a: 8.5423 ± 0.0002 Å
• b: 8.8892 ± 0.0002 Å
• c: 10.6486 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808.59 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes