Information card for entry 1575025

Structure parameters

• Formula: C22 H29 B11 N2 O5 S
• Calculated formula: C22 H29 B11 N2 O5 S
• 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: 7.0532 ± 0.0008 Å
• b: 13.9162 ± 0.0015 Å
• c: 14.4394 ± 0.0016 Å
• α: 80.019 ± 0.004°
• β: 81.48 ± 0.004°
• γ: 81.506 ± 0.004°
• Cell volume: 1369.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No