Information card for entry 1554934

Structure parameters

• Formula: C19 H23 Fe N O2 S
• Calculated formula: C19 H23 Fe N O2 S
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[C@H](NS(=O)C(C)(C)C)c1occc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.
• Authors of publication: Das, Manas; O'Shea, Donal F
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1962 - 1965
• a: 5.84461 ± 0.00004 Å
• b: 11.3132 ± 0.00006 Å
• c: 13.829 ± 0.00008 Å
• α: 90°
• β: 95.4227 ± 0.0006°
• γ: 90°
• Cell volume: 910.298 ± 0.01 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No