Information card for entry 1575027

Structure parameters

• Formula: C19 H25 B N4 O4 S2
• Calculated formula: C19 H25 B N4 O4 S2
• Title of publication: Catalytic insertion of nitrenes into B–H bonds
• Authors of publication: Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 6298 - 6306
• a: 15.601 ± 0.0013 Å
• b: 8.9989 ± 0.0011 Å
• c: 15.8836 ± 0.0016 Å
• α: 90°
• β: 107.422 ± 0.003°
• γ: 90°
• Cell volume: 2127.6 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No