Information card for entry 1555237

Structure parameters

• Formula: C23 H23 F N2 O6
• Calculated formula: C23 H23 F N2 O6
• SMILES: F[C@H]1[C@@H]([C@H]1c1ccccc1)[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C1CCCCC1.F[C@@H]1[C@H]([C@@H]1c1ccccc1)[C@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C1CCCCC1
• Title of publication: Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.
• Authors of publication: Navuluri, Chandrasekhar; Charette, André B
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4288 - 4291
• a: 7.9045 ± 0.0005 Å
• b: 11.1779 ± 0.0007 Å
• c: 11.7527 ± 0.0007 Å
• α: 91.21 ± 0.003°
• β: 92.807 ± 0.003°
• γ: 94 ± 0.004°
• Cell volume: 1034.33 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0384
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No