Information card for entry 4131909

Structure parameters

• Formula: C39 H46 B F2 N3 O4
• Calculated formula: C39 H46 B F2 N3 O4
• SMILES: C1(CCCCC1)N1C(=O)N(C2CCCCC2)C(=O)C2=C1O[B]([O]=C2/C=C/C=C/C=C/C=C/1C(c2c(cccc2)N1CCCC#C)(C)C)(F)F
• Title of publication: Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues.
• Authors of publication: Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 16
• Pages of publication: 5401 - 5411
• a: 15.6805 ± 0.0011 Å
• b: 10.4626 ± 0.0007 Å
• c: 21.9659 ± 0.0015 Å
• α: 90°
• β: 101.322 ± 0.002°
• γ: 90°
• Cell volume: 3533.6 ± 0.4 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: 0.1126
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No