Information card for entry 1505470

Structure parameters

• Formula: C23 H26 N2 O4 S
• Calculated formula: C23 H26 N2 O4 S
• SMILES: C1(=O)CCC[C@@H]2[C@@]3(C[C@@H](CO)N12)c1c(cccc1)N(C3)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Enantioselective spirocyclizations from tryptophanol-derived oxazolopiperidone lactams.
• Authors of publication: Amat, Mercedes; Santos, Maria M. M.; Gómez, Antonia M; Jokic, Danica; Molins, Elies; Bosch, Joan
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2907 - 2910
• a: 10.055 ± 0.002 Å
• b: 10.084 ± 0.002 Å
• c: 20.606 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No