Information card for entry 1543182

Structure parameters

• Formula: C27 H28 F3 N3 O4 S
• Calculated formula: C27 H28 F3 N3 O4 S
• SMILES: FC(F)(F)c1ccc(NC(=O)Nc2ccc3c4c(cccc24)C(=O)N(C3=O)CCCCC)cc1.S(=O)(C)C
• Title of publication: Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells
• Authors of publication: Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5069
• a: 9.1633 ± 0.0007 Å
• b: 9.3697 ± 0.0007 Å
• c: 16.2725 ± 0.0013 Å
• α: 80.079 ± 0.007°
• β: 75.592 ± 0.007°
• γ: 68.886 ± 0.007°
• Cell volume: 1257.03 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1711
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No