Information card for entry 1573671

Structure parameters

• Formula: C10 H19 B10 N Se
• Calculated formula: C10 H19 B10 N Se
• SMILES: [Se](c1c(/N=C/[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%11[BH]%11%102[BH]279[BH]796[BH]34([BH]%13%1127)[CH]58%129)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: 6.7117 ± 0.0013 Å
• b: 17.891 ± 0.003 Å
• c: 13.374 ± 0.003 Å
• α: 90°
• β: 92.059 ± 0.003°
• γ: 90°
• Cell volume: 1604.9 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No