Information card for entry 7054209

Structure parameters

• Common name: di-naphtalen-boron-substituted Bodipy
• Formula: C38 H39 B N2
• Calculated formula: C38 H39 B N2
• Title of publication: New fluorescent aryl- or ethynylaryl-boron-substituted indacenes as promising dyes
• Authors of publication: Ulrich, Gilles; Goze, Christine; Goeb, Sébastien; Retailleau, Pascal; Ziessel, Raymond
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 982 - 986
• a: 13.236 ± 0.005 Å
• b: 13.934 ± 0.005 Å
• c: 18.545 ± 0.005 Å
• α: 102.109 ± 0.005°
• β: 90.215 ± 0.005°
• γ: 112.416 ± 0.005°
• Cell volume: 3078.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No