Information card for entry 1565270

Structure parameters

• Formula: C18 H24 B F2 N5 O
• Calculated formula: C18 H24 B F2 N5 O
• SMILES: F[B]1(F)[n]2c(=C(c3n1c(c(c3C)CC)CN=N#N)CO)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: 8.7126 ± 0.001 Å
• b: 10.0034 ± 0.0012 Å
• c: 11.8736 ± 0.0014 Å
• α: 69.381 ± 0.002°
• β: 80.082 ± 0.002°
• γ: 76.862 ± 0.002°
• Cell volume: 938.37 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No