Information card for entry 4078616

Structure parameters

• Formula: C24 H24 Mn N O11
• Calculated formula: C24 H24 Mn N O11
• SMILES: [Mn]1234([cH]5[cH]4[cH]3[cH]2[c]15C(=O)CCC(=O)Nc1c(OCOC)ccc(C(=O)OC)c1OCOC)(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: 21.472 ± 0.01 Å
• b: 7.707 ± 0.003 Å
• c: 30.064 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4975 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No