Information card for entry 8102835

Structure parameters

• Chemical name: aqua-2-(3-aminophenyl)-1,3,2-dioxaborole dihydrate
• Formula: C12 H16 B N O5
• Calculated formula: C12 H16 B N O5
• Title of publication: Crystal structure of aqua-2-(3-aminophenyl)-1,3,2-dioxaborole dihydrate, C12H12BNO3 · 2H2O
• Authors of publication: Araceli Vega; Maria Zarate; Hugo Tlahuext; Herbert Höpfl
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 676
• a: 7.8983 ± 0.0013 Å
• b: 8.0107 ± 0.0013 Å
• c: 10.5407 ± 0.0018 Å
• α: 81.671 ± 0.003°
• β: 84.011 ± 0.003°
• γ: 75.268 ± 0.003°
• Cell volume: 636.6 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No