Information card for entry 4032251

Structure parameters

• Formula: C35 H46 B N O2
• Calculated formula: C35 H46 B N O2
• SMILES: O1c2c(C=[N]3c4c(O[B]13c1ccccc1)c(cc(c4)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C
• Title of publication: Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.
• Authors of publication: Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2375 - 2385
• a: 12.6934 ± 0.0011 Å
• b: 18.5229 ± 0.0016 Å
• c: 14.3034 ± 0.0012 Å
• α: 90°
• β: 112.18 ± 0.0012°
• γ: 90°
• Cell volume: 3114.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.62 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No