Information card for entry 4038604

Structure parameters

• Formula: C15 H18 B N3 O2
• Calculated formula: C15 H18 B N3 O2
• 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: 13.081 ± 0.007 Å
• b: 15.69 ± 0.004 Å
• c: 16.982 ± 0.004 Å
• α: 116.092 ± 0.003°
• β: 97.851 ± 0.004°
• γ: 101.938 ± 0.004°
• Cell volume: 2958 ± 1.9 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: 0.1923
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No