Information card for entry 2200335

Structure parameters

• Chemical name: α-[(diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol
• Formula: C22 H29 N O2
• Calculated formula: C22 H29 N O2
• SMILES: [C@H](O)(CN1[C@H](C)CC[C@@H]1C)COC(c1ccccc1)c1ccccc1.[C@@H](O)(CN1[C@@H](C)CC[C@H]1C)COC(c1ccccc1)c1ccccc1
• Title of publication: α-[(Diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol
• Authors of publication: Kubicki, Maciej; Codding, Penelope W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o490 - o491
• a: 8.3588 ± 0.0004 Å
• b: 10.6774 ± 0.0004 Å
• c: 12.5709 ± 0.0005 Å
• α: 99.033 ± 0.003°
• β: 108.701 ± 0.004°
• γ: 99.057 ± 0.003°
• Cell volume: 1023.33 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No