Information card for entry 4078617

Structure parameters

• Formula: C29 H35 Fe N O6 Si
• Calculated formula: C29 H35 Fe N O6 Si
• SMILES: [Fe]123456789[c]%10(C(=O)C(C[c]%112[cH]7[cH]5[cH]6[cH]3%11)(C)CCC(=O)Nc2c(O)c(C(=O)OCC[Si](C)(C)C)ccc2O)[cH]4[cH]9[cH]1[cH]8%10
• Title of publication: Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation
• Authors of publication: Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5760
• a: 30.07 ± 0.04 Å
• b: 7.5683 ± 0.001 Å
• c: 13.092 ± 0.018 Å
• α: 90°
• β: 102.27 ± 0.016°
• γ: 90°
• Cell volume: 2911 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No