Information card for entry 2216602

Structure parameters

• Chemical name: [3-(Propenamido)phenyl]boronic acid
• Formula: C9 H10 B N O3
• Calculated formula: C9 H10 B N O3
• Title of publication: [3-(Propenamido)phenyl]boronic acid
• Authors of publication: Zhang, Dan; Harrington, Laura E.; Tanaka, Hiroo; Pelton, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4628
• a: 18.626 ± 0.004 Å
• b: 42.112 ± 0.008 Å
• c: 5.0536 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3963.9 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes