Information card for entry 7135324

Structure parameters

• Formula: C22 H13 B F N3 O
• Calculated formula: C22 H13 B F N3 O
• Title of publication: Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality
• Authors of publication: Figliola, Carlotta; Chériaux, Camille; Oppé, Nicolas; Estaque, Lilian; Retailleau, Pascal; Vanthuyne, Nicolas; Pieters, Gregory; Jacquemin, Denis; Ulrich, Gilles
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 7.5432 ± 0.0004 Å
• b: 8.0975 ± 0.0005 Å
• c: 14.2914 ± 0.001 Å
• α: 95.85 ± 0.007°
• β: 95.816 ± 0.007°
• γ: 103.652 ± 0.007°
• Cell volume: 836.72 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9641
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No