Information card for entry 4116058

Structure parameters

• Formula: C30.5 H32.5 Cl F3 N O5 Pt S
• Calculated formula: C28.5 H32.5 Cl F3 N3 O5 Pt S
• SMILES: [Pt]123([N](c4c(cccc4)[C]43C2=C(N2CCCC(C=42)(CC)CC)C(=O)OC)=Cc2[n]1cccc2)C.[Pt]12([N](c3c(cccc3)[C]32C=C(N2CCCC(C=32)(CC)CC)C(=O)OC)=Cc2[n]1cccc2)C.ClCCl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: C-H Bond Activation of Hydrocarbon Segments in Complex Organic Molecules: Total Synthesis of the Antimitotic Rhazinilam
• Authors of publication: James A. Johnson; Dalibor Sames
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6321 - 6322
• a: 12.5434 ± 0.001 Å
• b: 18.0749 ± 0.0014 Å
• c: 14.1236 ± 0.0011 Å
• α: 90°
• β: 109.767 ± 0.001°
• γ: 90°
• Cell volume: 3013.4 ± 0.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No