Information card for entry 4038603

Structure parameters

• Formula: C12 H10 B N3 O5
• Calculated formula: C12 H10 B N3 O5
• 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: 3.7451 ± 0.0011 Å
• b: 7.501 ± 0.002 Å
• c: 21.773 ± 0.006 Å
• α: 90°
• β: 92.94 ± 0.004°
• γ: 90°
• Cell volume: 610.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No