Information card for entry 4101552

Structure parameters

• Formula: C38 H39 B N2
• Calculated formula: C38 H39 B N2
• Title of publication: Synthesis and photophysical properties of borondipyrromethene dyes bearing aryl substituents at the boron center.
• Authors of publication: Goze, Christine; Ulrich, Gilles; Mallon, Laura J; Allen, Ben D; Harriman, Anthony; Ziessel, Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 31
• Pages of publication: 10231 - 10239
• a: 13.232 ± 0.005 Å
• b: 13.929 ± 0.005 Å
• c: 18.537 ± 0.005 Å
• α: 77.893 ± 0.005°
• β: 90.229 ± 0.005°
• γ: 67.596 ± 0.005°
• Cell volume: 3075 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No