Information card for entry 4035963

Structure parameters

• Formula: C22 H26 F N2 O4 P
• Calculated formula: C22 H26 F N2 O4 P
• Title of publication: Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.
• Authors of publication: Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 1094 - 1102
• a: 27.2663 ± 0.0002 Å
• b: 27.2663 ± 0.0002 Å
• c: 12.3982 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9217.46 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No