Information card for entry 7134546

Structure parameters

• Formula: C22 H34 B Br N4 O2
• Calculated formula: C22 H34 B Br N4 O2
• Title of publication: Boron appended Ru-NHC catalyzed selective deoxygenative hydrogenation of tertiary amides and desulfurization of thioamides
• Authors of publication: Sharma, Raju; Kenguva, Gowtham; Dandela, Rambabu; Daw, Prosenjit
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9460 - 9463
• a: 8.5419 ± 0.0006 Å
• b: 12.0415 ± 0.0009 Å
• c: 13.374 ± 0.0011 Å
• α: 68.584 ± 0.002°
• β: 76.132 ± 0.002°
• γ: 76.223 ± 0.002°
• Cell volume: 1225.92 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No