Information card for entry 7064360

Structure parameters

• Formula: C5 H15 B10 N S
• Calculated formula: C5 H15 B10 N 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
• a: 15.4827 ± 0.0006 Å
• b: 7.5722 ± 0.0003 Å
• c: 21.84 ± 0.0008 Å
• α: 90°
• β: 94.311 ± 0.002°
• γ: 90°
• Cell volume: 2553.24 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No