Information card for entry 7157249

Structure parameters

• Formula: C28 H33 B Cl2 F8 N3 P
• Calculated formula: C28 H33 B Cl2 F8 N3 P
• Title of publication: Multi-state amine sensing by electron transfers in a BODIPY probe.
• Authors of publication: VanDenburgh, Katherine L.; Liu, Yun; Sadhukhan, Tumpa; Benson, Christopher R.; Cox, Natalie M.; Erbas-Cakmak, Sundus; Qiao, Bo; Gao, Xinfeng; Pink, Maren; Raghavachari, Krishnan; Flood, Amar H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 431 - 440
• a: 7.9585 ± 0.0005 Å
• b: 9.424 ± 0.0005 Å
• c: 20.5726 ± 0.0013 Å
• α: 86.645 ± 0.003°
• β: 79.638 ± 0.003°
• γ: 84.679 ± 0.003°
• Cell volume: 1509.88 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2736
• 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: Yes
• Has Fobs: No