Information card for entry 7054844

Structure parameters

• Formula: C52 H55 B F2 N2 O2
• Calculated formula: C52 H55 B F2 N2 O2
• Title of publication: Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality
• Authors of publication: Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 5886
• a: 12.385 ± 0.003 Å
• b: 12.928 ± 0.003 Å
• c: 15.373 ± 0.004 Å
• α: 95.319 ± 0.003°
• β: 111.299 ± 0.003°
• γ: 105.141 ± 0.003°
• Cell volume: 2165 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0686
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No