Information card for entry 1517234

Structure parameters

• Formula: C16 H17 N O2 S
• Calculated formula: C15 H21 N O3 S
• SMILES: S(=O)(C(C)(C)C)N[C@@H]1c2c(OCC1=C=C)cccc2.O
• 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: 19.1174 ± 0.0006 Å
• b: 6.6815 ± 0.0002 Å
• c: 13.5889 ± 0.0003 Å
• α: 90°
• β: 110.988 ± 0.003°
• γ: 90°
• Cell volume: 1620.59 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No