Information card for entry 1503185

Structure parameters

• Formula: C22 H25 N O2 S
• Calculated formula: C22 H25 N O2 S
• SMILES: S=C1OC([C@H](N1C(=O)C[C@@H](CC)c1ccccc1)c1ccccc1)(C)C
• Title of publication: Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.
• Authors of publication: Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4268 - 4270
• a: 5.437 ± 0.002 Å
• b: 16.067 ± 0.006 Å
• c: 11.335 ± 0.004 Å
• α: 90°
• β: 96.72 ± 0.03°
• γ: 90°
• Cell volume: 983.4 ± 0.6 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Ambient diffracton pressure: 101 ± 2 kPa
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No