Information card for entry 7700412

Structure parameters

• Formula: C22 H19 B Br2 F2 N2 O
• Calculated formula: C22 H19 B Br2 F2 N2 O
• Title of publication: gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.
• Authors of publication: Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11492 - 11507
• a: 6.6203 ± 0.0003 Å
• b: 9.5217 ± 0.0005 Å
• c: 16.6484 ± 0.0008 Å
• α: 98.448 ± 0.002°
• β: 92.61 ± 0.001°
• γ: 99.504 ± 0.001°
• Cell volume: 1021.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No