Information card for entry 7006993

Structure parameters

• Formula: C23 H25 B F2 N4 O4
• Calculated formula: C23 H25 B F2 N4 O4
• SMILES: [B]1(F)(F)[n]2c(c(C)c(CC)c2C)=C(c2n1c(c(c2C)CC)C)c1cc(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: Boron dipyrromethene dyes: a rational avenue for sensing and light emitting devices.
• Authors of publication: Ziessel, Raymond; Bonardi, Laure; Ulrich, Gilles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2913 - 2918
• a: 13.345 ± 0.003 Å
• b: 8.431 ± 0.004 Å
• c: 41.094 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4624 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No