Information card for entry 1556126

Structure parameters

• Common name: ubsc13
• Formula: C26 H28 N2 O4 S
• Calculated formula: C26 H28 N2 O4 S
• SMILES: S(=O)(=O)(N1C[C@@H](OC[C@@H]1Cc1ccccc1)CNC(=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: Stereoselective synthesis of morpholines via copper-promoted oxyamination of alkenes.
• Authors of publication: Sequeira, Fatima C.; Chemler, Sherry R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4482 - 4485
• a: 9.6487 ± 0.0014 Å
• b: 12.0714 ± 0.0017 Å
• c: 19.866 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313.9 ± 0.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No