Information card for entry 1503283

Structure parameters

• Formula: C18 H20 I N
• Calculated formula: C18 H20 I N
• SMILES: [C@H]1(C[C@H](c2ccccc2)N(C1)Cc1ccc(cc1)C)I.[C@@H]1(C[C@@H](c2ccccc2)N(C1)Cc1ccc(cc1)C)I
• Title of publication: Diastereoselective preparation of azetidines and pyrrolidines.
• Authors of publication: Feula, Antonio; Male, Louise; Fossey, John S.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 5044 - 5047
• a: 6.9828 ± 0.0002 Å
• b: 9.0924 ± 0.0005 Å
• c: 25.8129 ± 0.0012 Å
• α: 90°
• β: 93.829 ± 0.003°
• γ: 90°
• Cell volume: 1635.21 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No