Information card for entry 7155330

Structure parameters

• Formula: C24 H27 B F2 N2 O2
• Calculated formula: C24 H27 B F2 N2 O2
• SMILES: [B]1(F)(F)[n]2c(=C(c3n1c(cc3C)C)c1c(c(c(c(c1)C(C)C)O)C=O)C)c(C)cc2C
• Title of publication: Colorimetric and fluorescence probe for detection of nano molar lysine in aqueous medium
• Authors of publication: Das, Debasis; Adhikari, Susanta; Ghosh, Avijit; Mandal, Sandip; Guria, Subhajit; Banerjee, Prajna Paramita; Chattopadhyay, Ansuman
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2016
• a: 8.3457 ± 0.0012 Å
• b: 8.8632 ± 0.0014 Å
• c: 15.254 ± 0.002 Å
• α: 87.065 ± 0.004°
• β: 88.132 ± 0.005°
• γ: 68.586 ± 0.004°
• Cell volume: 1048.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No