Information card for entry 1555496

Structure parameters

• Formula: C25 H22 F N O2
• Calculated formula: C25 H22 F N O2
• Title of publication: Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.
• Authors of publication: Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1358 - 1361
• a: 9.56524 ± 0.00007 Å
• b: 18.64102 ± 0.00014 Å
• c: 22.57118 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.57 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0284
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No