Information card for entry 7057516

Structure parameters

• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• Title of publication: Engineering β-ketoenol structure functionality in hybrid silica as excellent adsorbent material for removal of heavy metals from water
• Authors of publication: Tighadouini, Said; Radi, Smaail; Anannaz, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Tillard, Monique; Eddike, Driss; Amhamdi, Hassan; Garcia, Yann
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13229
• a: 18.1817 ± 0.0006 Å
• b: 4.2733 ± 0.0002 Å
• c: 30.3211 ± 0.0009 Å
• α: 90°
• β: 102.758 ± 0.002°
• γ: 90°
• Cell volume: 2297.66 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No