Information card for entry 7155822

Structure parameters

• Formula: C26 H30.5 F6 N3.5 O
• Calculated formula: C26 H30.5 F6 N3.5 O
• 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: 10.428 ± 0.0001 Å
• b: 8.6604 ± 0.0001 Å
• c: 30.374 ± 0.002 Å
• α: 90°
• β: 99.054 ± 0.006°
• γ: 90°
• Cell volume: 2708.92 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No