Information card for entry 1565271

Structure parameters

• Formula: C20 H27 B F2 N2 O2
• Calculated formula: C20 H27 B F2 N2 O2
• SMILES: F[B]1(F)[n]2c(=C(c3n1c(C)c(c3C)CC)COC(=O)C)c(c(c2C)CC)C
• Title of publication: Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry
• Authors of publication: Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 6927 - 6936
• a: 17.1373 ± 0.0013 Å
• b: 11.7136 ± 0.0009 Å
• c: 20.6062 ± 0.0015 Å
• α: 90°
• β: 99.046 ± 0.001°
• γ: 90°
• Cell volume: 4085 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No