Information card for entry 7057078

Structure parameters

• Formula: C33 H36 B F2 N5 O
• Calculated formula: C33 H36 B F2 N5 O
• Title of publication: Syntheses of 1,2,3-triazole-BODIPYs bearing up to three carbohydrate units
• Authors of publication: Nguyen, Alex L.; Griffin, Kaitlin E.; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M. Graça H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8241
• a: 11.1039 ± 0.0003 Å
• b: 11.3734 ± 0.0003 Å
• c: 12.972 ± 0.0004 Å
• α: 67.466 ± 0.002°
• β: 72.869 ± 0.002°
• γ: 84.364 ± 0.002°
• Cell volume: 1445.82 ± 0.08 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No