Information card for entry 7155827

Structure parameters

• Formula: C19 H17 F6 N3 O2
• Calculated formula: C19 H17 F6 N3 O2
• Title of publication: Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions
• Authors of publication: Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 4.8277 ± 0.0002 Å
• b: 24.7394 ± 0.0009 Å
• c: 16.4158 ± 0.0009 Å
• α: 90°
• β: 94.129 ± 0.002°
• γ: 90°
• Cell volume: 1955.52 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No