Information card for entry 1575028

Structure parameters

• Formula: C18.86 H18.72 B Cl1.72 N2 O2 S
• Calculated formula: C18.8575 H18.715 B Cl1.715 N2 O2 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: 15.0095 ± 0.0009 Å
• b: 15.3676 ± 0.0009 Å
• c: 17.4816 ± 0.001 Å
• α: 78.015 ± 0.002°
• β: 77.183 ± 0.002°
• γ: 81.734 ± 0.002°
• Cell volume: 3825.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No