Information card for entry 7134794

Structure parameters

• Formula: C40 H38 B F2 N5
• Calculated formula: C40 H38 B F2 N5
• Title of publication: Introducing the substituted azobispyrrole framework: synthesis and properties.
• Authors of publication: Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 62
• Pages of publication: 11649 - 11652
• a: 22.8308 ± 0.0005 Å
• b: 19.6331 ± 0.0005 Å
• c: 7.717 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3459.06 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No