Information card for entry 4033388

Structure parameters

• Chemical name: (3S,3'S)-3-fluoro-3'-hydroxy-1,1'-dimethyl-[3,3'-biindoline]-2,2'-dione
• Formula: C18 H15 F N2 O3
• Calculated formula: C18 H15 F N2 O3
• SMILES: F[C@]1(C(=O)N(c2c1cccc2)C)[C@@]1(O)C(=O)N(c2c1cccc2)C.F[C@@]1(C(=O)N(c2c1cccc2)C)[C@]1(O)C(=O)N(c2c1cccc2)C
• Title of publication: Organocatalytic Stereoselective Synthesis of Fluorinated 3,3'-Linked Bisoxindoles.
• Authors of publication: Moskowitz, Max; Balaraman, Kaluvu; Wolf, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1661 - 1666
• a: 7.8941 ± 0.0005 Å
• b: 8.2666 ± 0.0005 Å
• c: 11.9759 ± 0.0008 Å
• α: 85.227 ± 0.002°
• β: 77.959 ± 0.002°
• γ: 78.541 ± 0.002°
• Cell volume: 748.37 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No