Information card for entry 7101681

Structure parameters

• Formula: C35 H31 Cl N2 O5
• Calculated formula: C35 H31 Cl N2 O5
• SMILES: Clc1c([C@@H]2N([C@H]([C@@H]([C@]32C(=O)N(c2ccccc32)Cc2ccccc2)C(=O)OC)C(=O)OCC)c2ccccc2)cccc1.Clc1c([C@H]2N([C@@H]([C@H]([C@@]32C(=O)N(c2ccccc32)Cc2ccccc2)C(=O)OC)C(=O)OCC)c2ccccc2)cccc1
• Title of publication: A highly diastereoselective, catalytic three-component assembly reaction for the synthesis of spiropyrrolidinyloxindoles.
• Authors of publication: Galliford, Chris V; Martenson, James S; Stern, Charlotte; Scheidt, Karl A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 631 - 633
• a: 13.1699 ± 0.0014 Å
• b: 16.1972 ± 0.0017 Å
• c: 14.1817 ± 0.0014 Å
• α: 90°
• β: 103.16 ± 0.002°
• γ: 90°
• Cell volume: 2945.7 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No