Information card for entry 7114572

Structure parameters

• Formula: C26 H33 F6 N2 O P
• Calculated formula: C26 H33 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C(N1c2c(CCC1)cccc2)[C@@H]([N+]1(C/C=C/c2ccccc2)CCCCC1)C
• Title of publication: Double axial chirality promoted asymmetric [2,3] Stevens rearrangement of N-cinnamyl L-alanine amide-derived ammonium ylides
• Authors of publication: Eiji Tayama; Noriko Naganuma; Hajime Iwamoto; Eietsu Hasegawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6860
• a: 11.9319 ± 0.0004 Å
• b: 13.445 ± 0.0004 Å
• c: 16.1494 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2590.76 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No