Information card for entry 4032140

Structure parameters

• Formula: C20 H23 N O3 S
• Calculated formula: C20 H23 N O3 S
• SMILES: S(=O)(=O)(N1C[C@@H](OC[C@@H]1Cc1ccccc1)C=C)c1ccc(cc1)C
• Title of publication: Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.
• Authors of publication: Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1330 - 1339
• a: 6.1952 ± 0.0005 Å
• b: 10.7715 ± 0.0008 Å
• c: 27.987 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1895
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.3338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No