Information card for entry 7060768

Structure parameters

• Formula: C12 H14 B10 Cl F4 N O2 S
• Calculated formula: C12 H14 B10 Cl F4 N O2 S
• Title of publication: Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions
• Authors of publication: Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 12159 - 12167
• a: 14.919 ± 0.003 Å
• b: 9.852 ± 0.002 Å
• c: 14.708 ± 0.003 Å
• α: 90°
• β: 115.775 ± 0.004°
• γ: 90°
• Cell volume: 1946.7 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No