Information card for entry 7104448

Structure parameters

• Formula: C32 H30 N2 O4 S
• Calculated formula: C32 H30 N2 O4 S
• SMILES: S(=O)(=O)(n1c2c(c3C[C@H]4C(=O)N5[C@@H](CO[C@H]5[C@@H]([C@@H]4C=Cc13)CC)c1ccccc1)cccc2)c1ccccc1
• Title of publication: Enantioselective total synthesis of the indole alkaloid 16-episilicine.
• Authors of publication: Amat, Mercedes; Checa, Begoña; Llor, Núria; Molins, Elies; Bosch, Joan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 2935 - 2937
• a: 9.004 ± 0.005 Å
• b: 14.264 ± 0.003 Å
• c: 20.84 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2676.5 ± 1.8 ų
• Cell temperature: 565 ± 2 K
• Ambient diffraction temperature: 565 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No