Information card for entry 7038818

Structure parameters

• Common name: BbF5
• Formula: C26 H19 B F2 N2 O
• Calculated formula: C26 H19 B F2 N2 O
• Title of publication: Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.
• Authors of publication: Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7589 - 7604
• a: 20.5702 ± 0.0009 Å
• b: 12.267 ± 0.0005 Å
• c: 7.9969 ± 0.0004 Å
• α: 90°
• β: 99.415 ± 0.003°
• γ: 90°
• Cell volume: 1990.71 ± 0.16 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.0717
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No