Information card for entry 1545971

Structure parameters

• Formula: C33 H35 N O
• Calculated formula: C33 H35 N O
• SMILES: O(C([C@H]1N(CC(C1)(c1ccccc1)c1ccccc1)Cc1ccccc1)(C)C)Cc1ccccc1
• Title of publication: Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.
• Authors of publication: Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1520 - 1523
• a: 21.1037 ± 0.0008 Å
• b: 21.1037 ± 0.0008 Å
• c: 10.4985 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4049.3 ± 0.3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No