Information card for entry 4038599

Structure parameters

• Formula: C20 H19 B N2 O3
• Calculated formula: C20 H19 B N2 O3
• Title of publication: <i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.
• Authors of publication: Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.5595 ± 0.0012 Å
• b: 10.6346 ± 0.0019 Å
• c: 13.94 ± 0.003 Å
• α: 108.236 ± 0.002°
• β: 94.37 ± 0.002°
• γ: 99.634 ± 0.002°
• Cell volume: 901.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No