Information card for entry 7129192

Structure parameters

• Formula: C27 H30 B Cl2 F2 N3
• Calculated formula: C27 H30 B Cl2 F2 N3
• SMILES: ClCCl.F[B]1(F)[n]2cccc2=Cc2n1c(c(c2C)CC)/C=C/c1cc2c3N(CCC2)CCCc3c1
• Title of publication: Voltage-Induced Fluorescence Lifetime Imaging of a BODIPY Derivative in Giant Unilamellar Vesicles (GUVs) as Neuron Membrane Mimics
• Authors of publication: Benniston, A. C.; Sirbu, Dumitru; Tkachenko, Nikolai V.; Zeng, Lingli; Waddell, Paul G.; Botchway, Stanley W.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 11.074 ± 0.0007 Å
• b: 11.115 ± 0.0006 Å
• c: 12.1059 ± 0.0009 Å
• α: 85.621 ± 0.005°
• β: 75.257 ± 0.006°
• γ: 61.941 ± 0.006°
• Cell volume: 1270.01 ± 0.16 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0712
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No