Information card for entry 7005079

Structure parameters

• Formula: C88 H84 N16 S4 Zn2
• Calculated formula: C88 H84 N16 S4 Zn2
• SMILES: c1cc(c2ccccc2)[n]2n1[C@@H](C(C)(C)[S]1[Zn]2(SC(C)(C)C(n2nc(cc2)c2ccccc2)n2nc(cc2)c2ccccc2)[S]2C([C@@H](n3ccc(c4ccccc4)[n]3[Zn]12SC(C)(C)C(n1nc(cc1)c1ccccc1)n1nc(cc1)c1ccccc1)n1nc(cc1)c1ccccc1)(C)C)n1nc(cc1)c1ccccc1
• 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: 11.5709 ± 0.0005 Å
• b: 13.0745 ± 0.0006 Å
• c: 16.8376 ± 0.0008 Å
• α: 104.099 ± 0.002°
• β: 108.569 ± 0.003°
• γ: 102.959 ± 0.003°
• Cell volume: 2212.11 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No