Information card for entry 1573667

Structure parameters

• Formula: C10 H19 B10 N O
• Calculated formula: C10 H19 B10 N O
• SMILES: O(c1c(/N=C/[C]2345[BH]678[BH]9%10%11[BH]%1226[BH]263[BH]3%134[BH]4%146[BH]%10%122[BH]2%11%14[BH]679[BH]342[CH]58%136)cccc1)C
• 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: 8.7742 ± 0.0009 Å
• b: 22.4893 ± 0.0019 Å
• c: 7.9927 ± 0.0008 Å
• α: 90°
• β: 103.148 ± 0.003°
• γ: 90°
• Cell volume: 1535.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No