Information card for entry 4101553

Structure parameters

• Formula: C32 H39 B N2 O2
• Calculated formula: C32 H39 B N2 O2
• 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: 19.7197 ± 0.0003 Å
• b: 12.8542 ± 0.0002 Å
• c: 22.0126 ± 0.0005 Å
• α: 90°
• β: 99.871 ± 0.005°
• γ: 90°
• Cell volume: 5497.2 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections: 1.589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No