Information card for entry 7121982

Structure parameters

• Chemical name: (S,Z)-N-argio-2-(1-formylpyrrolidin-2-yl)-2-(2-phenylhydrazono)acetamide
• Formula: C21 H18 F6 N4 O2
• Calculated formula: C21 H18 F6 N4 O2
• Title of publication: Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives.
• Authors of publication: Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 64
• Pages of publication: 8905 - 8908
• a: 23.7773 ± 0.0015 Å
• b: 5.4608 ± 0.0004 Å
• c: 31.7244 ± 0.0019 Å
• α: 90°
• β: 92.002 ± 0.006°
• γ: 90°
• Cell volume: 4116.7 ± 0.5 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No