Information card for entry 4078618

Structure parameters

• Formula: C23 H20 Mn N O9
• Calculated formula: C23 H20 Mn N O9
• SMILES: [Mn]1234([c]56[c]2([cH]1[cH]4[cH]35)C(=O)C(C)(CC6)CCC(=O)Nc1c(O)c(C(=O)O)ccc1O)(C#[O])(C#[O])C#[O]
• 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: 7.727 ± 0.011 Å
• b: 9.545 ± 0.015 Å
• c: 16.53 ± 0.03 Å
• α: 82.1 ± 0.04°
• β: 86.75 ± 0.05°
• γ: 67.37 ± 0.04°
• Cell volume: 1115 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2148
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No