Information card for entry 7127220

Structure parameters

• Formula: C16 H22 F3 N O2 Sn
• Calculated formula: C16 H22 F3 N O2 Sn
• SMILES: [Sn]([C@@H]1N(C(=O)[C@](OC)(c2ccccc2)C(F)(F)F)CC1)(C)(C)C
• Title of publication: Electrophile dependent mechanisms in the asymmetric trapping of α-lithio-<i>N</i>-(<i>tert</i>-butoxythiocarbonyl)azetidine.
• Authors of publication: Delany, Pascal K.; Mortimer, Claire L.; Hodgson, David M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12174 - 12177
• a: 11.7115 ± 0.0005 Å
• b: 12.6744 ± 0.0004 Å
• c: 12.5355 ± 0.0007 Å
• α: 90°
• β: 103.528 ± 0.005°
• γ: 90°
• Cell volume: 1809.1 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0949
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No