Information card for entry 7161100

Structure parameters

• Chemical name: MNBF
• Formula: C47 H43 F6 N11 O3
• Calculated formula: C47 H43 F6 N11 O3
• Title of publication: Multicomponent domino synthesis of 6-azabicyclo[3.2.1]octanes and their cascade ring expansion toward 2-azabicyclo[4.3.1]decanes.
• Authors of publication: Natarajan, Nithya; Mouttousadeappane, Dhanavardini; Gnanasambandam, Vasuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2469 - 2480
• a: 13.9052 ± 0.0008 Å
• b: 13.926 ± 0.0009 Å
• c: 14.7055 ± 0.0013 Å
• α: 117.811 ± 0.002°
• β: 105.207 ± 0.003°
• γ: 99.479 ± 0.002°
• Cell volume: 2288.9 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0857
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No