Information card for entry 2001820

Structure parameters

• Chemical name: 3,4,5-trihydroxybenzohydroxamic acid, monohydrate
• Formula: C7 H9 N O6
• Calculated formula: C7 H9 N O6
• SMILES: ONC(=O)c1cc(O)c(c(c1)O)O.O
• Title of publication: 3,4,5-Trihydroxybenzohydroxamic acid monohydrate, a ribonucleotide reductase inhibitor
• Authors of publication: Nielsen, B. B.; Larsen, I. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 810 - 813
• a: 11.5961 ± 0.0008 Å
• b: 3.6323 ± 0.0004 Å
• c: 18.531 ± 0.001 Å
• α: 90°
• β: 94.02 ± 0.006°
• γ: 90°
• Cell volume: 778.61 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 2.091
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No