Information card for entry 4026800

Structure parameters

• Formula: C34 H32 F3 N O2
• Calculated formula: C34 H32 F3 N O2
• SMILES: FC(F)(F)[C@](OC)(C(=O)N1[C@](C)(CC(c2ccccc2)(C1)c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes
• Authors of publication: Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 10163 - 10172
• a: 9.858 ± 0.003 Å
• b: 10.449 ± 0.002 Å
• c: 13.184 ± 0.004 Å
• α: 90°
• β: 96.313 ± 0.007°
• γ: 90°
• Cell volume: 1349.8 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No