Information card for entry 4034669

Structure parameters

• Formula: C34 H38 B2 F4 N6 O2
• Calculated formula: C34 H38 B2 F4 N6 O2
• Title of publication: Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.
• Authors of publication: Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 12
• Pages of publication: 7804 - 7814
• a: 19.1887 ± 0.0003 Å
• b: 7.82212 ± 0.00014 Å
• c: 43.4449 ± 0.0007 Å
• α: 90°
• β: 93.6972 ± 0.0014°
• γ: 90°
• Cell volume: 6507.35 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No