Information card for entry 7121981

Structure parameters

• Formula: C22 H20 F6 N4 O S
• Calculated formula: C22 H20 F5.99995 N4 O S
• 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: 12.62193 ± 0.00018 Å
• b: 13.55916 ± 0.00019 Å
• c: 20.6596 ± 0.0003 Å
• α: 92.8838 ± 0.0011°
• β: 91.5768 ± 0.0011°
• γ: 94.1281 ± 0.0011°
• Cell volume: 3520.38 ± 0.09 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No