Information card for entry 4134876

Structure parameters

• Formula: C25 H31 N3 O2 Pt
• Calculated formula: C25 H31 N3 O2 Pt
• SMILES: [Pt]12([n]3cccc4cccc(c34)N1C(=O)C[C@@H]1[C@@]2(C)C[C@H](C[C@H]1C)C)[n]1ccccc1.O.[Pt]12([n]3cccc4cccc(c34)N1C(=O)C[C@H]1[C@]2(C)C[C@@H](C[C@@H]1C)C)[n]1ccccc1.O
• Title of publication: Total Synthesis of (-)-Maximiscin.
• Authors of publication: McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.707 ± 0.002 Å
• b: 19.744 ± 0.004 Å
• c: 11.109 ± 0.002 Å
• α: 90°
• β: 117.839 ± 0.004°
• γ: 90°
• Cell volume: 2270.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No