Information card for entry 4033457

Structure parameters

• Formula: C15 H14 F3 N O4
• Calculated formula: C15 H14 F3 N O4
• SMILES: N12[C@](OC(=O)[C@H]1c1ccccc1)(C(F)(F)F)CCC12OCCO1.N12[C@](C(F)(F)F)(OC(=O)[C@@H]1c1ccccc1)CCC12OCCO1
• Title of publication: Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.
• Authors of publication: Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 1867 - 1875
• a: 8.3163 ± 0.0001 Å
• b: 14.7164 ± 0.0002 Å
• c: 24.3781 ± 0.0004 Å
• α: 90°
• β: 90.414 ± 0.001°
• γ: 90°
• Cell volume: 2983.46 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No