Information card for entry 7064359

Structure parameters

• Formula: C9 H24 B10 N2 O3 S
• Calculated formula: C9 H24 B10 N2 O3 S
• Title of publication: Carborane isothiocyanates: synthesis, characterization and conjugation with N-nucleophiles
• Authors of publication: Alpatova, Victoria M.; Rys, Evgeny G.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 6197 - 6204
• a: 7.6763 ± 0.0003 Å
• b: 23.3782 ± 0.0009 Å
• c: 10.193 ± 0.0004 Å
• α: 90°
• β: 92.084 ± 0.002°
• γ: 90°
• Cell volume: 1828.01 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No