Information card for entry 4513962

Structure parameters

• Formula: C19 H17 N O4 S
• Calculated formula: C19 H17 N O4 S
• SMILES: S(=O)(=O)(N1c2ccccc2[C@H]2[C@@H]1O[C@@H](C2)c1ccc2occc2c1)C.S(=O)(=O)(N1c2ccccc2[C@@H]2[C@H]1O[C@H](C2)c1ccc2occc2c1)C
• Title of publication: Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination
• Authors of publication: Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 7183
• a: 10.28582 ± 0.00014 Å
• b: 9.52978 ± 0.00012 Å
• c: 16.564 ± 0.0002 Å
• α: 90°
• β: 90.4024 ± 0.0012°
• γ: 90°
• Cell volume: 1623.59 ± 0.04 ų
• Cell temperature: 180.2 ± 0.7 K
• Ambient diffraction temperature: 180.2 ± 0.7 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: 0.0361
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No