Information card for entry 7708709

Structure parameters

• Formula: C13 H15 O6 P
• Calculated formula: C13 H15 O6 P
• Title of publication: Umbelliferyloxymethyl Phosphonate Compounds- weakly binding zinc ionophores with neuroprotective properties
• Authors of publication: Guesne, Sebastien; Connole, Laura; Kim, Stephanie; Motevalli, Majid; Robson, Lesley; Michael-Titus, Adina T; Sullivan, Alice
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.0955 ± 0.0003 Å
• b: 24.2238 ± 0.001 Å
• c: 8.2176 ± 0.0004 Å
• α: 90°
• β: 106.643 ± 0.002°
• γ: 90°
• Cell volume: 1353.27 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No