Information card for entry 4313693

Structure parameters

• Common name: TpZn(2-hydroxypyridine-N-oxide)
• Formula: C35 H32 B N7 O2 Zn
• Calculated formula: C35 H32 B N7 O2 Zn
• SMILES: [Zn]123([O]=n4c(O1)cccc4)[n]1n(c(cc1c1ccccc1)C)[BH](n1[n]3c(c3ccccc3)cc1C)n1[n]2c(cc1C)c1ccccc1
• Title of publication: Examination of Novel Zinc-Binding Groups for Use in Matrix Metalloproteinase Inhibitors
• Authors of publication: David T. Puerta; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3423 - 3430
• a: 9.7863 ± 0.0015 Å
• b: 23.269 ± 0.004 Å
• c: 13.607 ± 0.002 Å
• α: 90°
• β: 98.122 ± 0.003°
• γ: 90°
• Cell volume: 3067.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No