Information card for entry 7135323

Structure parameters

• Common name: 6,6-difluoro-4-(2-methoxyphenyl)-6H-6λ4,7λ4-dipyrido[1,2-c:2',1'-f][1,3,2]diazaborinine-12-carbonitrile
• Formula: C19 H14 B F2 N3 O
• Calculated formula: C19 H14 B F2 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: 11.1316 ± 0.0004 Å
• b: 18.2559 ± 0.0006 Å
• c: 8.0791 ± 0.0003 Å
• α: 90°
• β: 99.445 ± 0.004°
• γ: 90°
• Cell volume: 1619.56 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0778
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No