Information card for entry 7109649

Structure parameters

• Common name: Complex between enterobactin and silicon
• Formula: C32 H28 N3 Na2 O18 Si
• Calculated formula: C31.9999 H27.9997 N3 Na2 O18 Si
• SMILES: [Na+].O1c2cccc3C(N[C@H]4COC(=O)[C@H]5NC(=O)c6c7c(ccc6)O[Si]16(O7)(Oc23)Oc1c(C(=O)N[C@H](C(=O)OC5)COC4=O)cccc1O6)=O.O.[Na+].OC.OC
• Title of publication: Si-enterobactin from the endophytic Streptomyces sp. KT-S1-B5 ‒ a potential silicon transporter in Nature?
• Authors of publication: Timothee J. N. Kenla; Michel D. Kongue Tatong; Ferdinand Mouafo Talontsi; Birger Dittrich; Holm Frauendorf; Hartmut Laatsch
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7641
• a: 11.2372 ± 0.0018 Å
• b: 9.8524 ± 0.0015 Å
• c: 15.84 ± 0.003 Å
• α: 90°
• β: 106.713 ± 0.008°
• γ: 90°
• Cell volume: 1679.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No