Information card for entry 7119003

Structure parameters

• Formula: C44 H65 B Br Cl9 F N2 P
• Calculated formula: C44 H65 B Br Cl9 F N2 P
• Title of publication: Structurally optimised BODIPY derivatives for imaging of mitochondrial dysfunction in cancer and heart cells
• Authors of publication: Shubhanchi Nigam; Benjamin P. Burke; Laura H. Davies; Juozas Domarkas; Jennifer F. Wallis; Paul G. Waddell; Jennifer S. Waby; David M. Benoit; Anne-Marie Seymour; Christopher Cawthorne; Lee J. Higham; Stephen J. Archibald
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7114
• a: 24.7264 ± 0.0007 Å
• b: 9.6603 ± 0.0002 Å
• c: 23.4725 ± 0.0007 Å
• α: 90°
• β: 109.127 ± 0.003°
• γ: 90°
• Cell volume: 5297.2 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No