Information card for entry 1503282

Structure parameters

• Formula: C18 H20 I N O
• Calculated formula: C18 H20 I N O
• SMILES: C([C@@H]1C[C@H](c2ccccc2)N1Cc1ccc(cc1)OC)I.C([C@H]1C[C@@H](c2ccccc2)N1Cc1ccc(cc1)OC)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: 10.6159 ± 0.0003 Å
• b: 12.3314 ± 0.0003 Å
• c: 13.4921 ± 0.0003 Å
• α: 81.7569 ± 0.0015°
• β: 74.4479 ± 0.0014°
• γ: 81.2906 ± 0.0014°
• Cell volume: 1672.12 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No