Information card for entry 4350545

Structure parameters

• Formula: C25 H28 Fe O10 S
• Calculated formula: C25 H28 Fe O10 S
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C)SC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Synthesis, structure, and biological activity of ferrocenyl carbohydrate conjugates.
• Authors of publication: Ferreira, Cara L.; Ewart, Charles B.; Barta, Cheri A.; Little, Susan; Yardley, Vanessa; Martins, Candice; Polishchuk, Elena; Smith, Peter J.; Moss, John R.; Merkel, Michael; Adam, Michael J.; Orvig, Chris
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8414 - 8422
• a: 10.7128 ± 0.0008 Å
• b: 7.856 ± 0.0005 Å
• c: 15.7821 ± 0.0011 Å
• α: 90°
• β: 97.001 ± 0.003°
• γ: 90°
• Cell volume: 1318.31 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No