Information card for entry 1573670

Structure parameters

• Formula: C20 H26 B10 N P
• Calculated formula: C20 H26 B10 N P
• Title of publication: Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.
• Authors of publication: Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2819 - 2832
• a: 15.1375 ± 0.0001 Å
• b: 16.6265 ± 0.0001 Å
• c: 16.7014 ± 0.0001 Å
• α: 79.222 ± 0.001°
• β: 67.177 ± 0.001°
• γ: 63.665 ± 0.001°
• Cell volume: 3471.7 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.327
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No