Information card for entry 7132332

Structure parameters

• Formula: C48 H68 Mg N2 O2
• Calculated formula: C48 H68 Mg N2 O2
• Title of publication: Intramolecular C–N bond activation by a transient boryl anion
• Authors of publication: Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.7933 ± 0.0006 Å
• b: 10.9169 ± 0.0006 Å
• c: 19.6634 ± 0.001 Å
• α: 99.184 ± 0.005°
• β: 93.75 ± 0.004°
• γ: 100.054 ± 0.005°
• Cell volume: 2241.7 ± 0.2 ų
• Cell temperature: 149.9 ± 0.6 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No