Information card for entry 7005080

Structure parameters

• Formula: C30 H30 Cl N5 O6 S Zn
• Calculated formula: C30 H30 Cl N5 O6 S Zn
• SMILES: [Zn]123([S](C(C(n4[n]2c(cc4)c2ccccc2)n2[n]3c(cc2)c2ccccc2)(C)C)C)[O]=C(NO1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Modeling the inhibition of peptide deformylase by hydroxamic acids: influence of the sulfur donor.
• Authors of publication: Galardon, Erwan; Giorgi, Michel; Artaud, Isabelle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 10
• Pages of publication: 1047 - 1052
• a: 13.3479 ± 0.0002 Å
• b: 20.2042 ± 0.0004 Å
• c: 12.7996 ± 0.0003 Å
• α: 90°
• β: 115.779 ± 0.0009°
• γ: 90°
• Cell volume: 3108.32 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No