Information card for entry 1517232

Structure parameters

• Formula: C16 H23 N O2 S
• Calculated formula: C16 H23 N O2 S
• SMILES: S(=O)(N[C@@H]1c2cc(C)ccc2OC[C@@H]1C=C)C(C)(C)C
• Title of publication: Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.
• Authors of publication: Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4118 - 4121
• a: 5.526 ± 0.0009 Å
• b: 11.111 ± 0.002 Å
• c: 13.716 ± 0.002 Å
• α: 90°
• β: 98.463 ± 0.009°
• γ: 90°
• Cell volume: 833 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No