Information card for entry 4514529

Structure parameters

• Formula: C37 H54 B F2 N3 O5
• Calculated formula: C37 H54 B F2 N3 O5
• SMILES: C1(CCCCC1)N1C(=O)N(C2CCCCC2)C(=O)C2=C1O[B]([O]=C2/C=C/c1ccc(cc1OCCCCCCCC)N(CC)CC)(F)F
• Title of publication: Optimizing the Fluorescence Properties of Nanoemulsions for Single Particle Tracking in Live Cells.
• Authors of publication: Wang, Xinyue; Anton, Nicolas; Ashokkumar, Pichandi; Anton, Halina; Fam, Tkhe Kyong; Vandamme, Thierry; Klymchenko, Andrey S.; Collot, Mayeul
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 13079 - 13090
• a: 18.5315 ± 0.0014 Å
• b: 11.0275 ± 0.0007 Å
• c: 17.8799 ± 0.0015 Å
• α: 90°
• β: 93.856 ± 0.005°
• γ: 90°
• Cell volume: 3645.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2047
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.3441
• Weighted residual factors for all reflections included in the refinement: 0.4023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No