Information card for entry 4122201

Structure parameters

• Formula: C65 H76 O17 S4
• Calculated formula: C65 H76 O17 S4
• SMILES: S(=O)(=O)(Oc1cccc2c3cccc(OS(=O)(=O)C[C@@]45C(=O)C[C@@H](CC4)C5(C)C)c3c3c(OS(=O)(=O)C[C@@]45C(=O)C[C@@H](CC4)C5(C)C)cccc3c3cccc(OS(=O)(=O)C[C@]45CC[C@H](CC4=O)C5(C)C)c3c12)C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.OC
• Title of publication: Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on "linear" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.
• Authors of publication: Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9603 - 9611
• a: 15.7792 ± 0.0009 Å
• b: 13.6619 ± 0.0008 Å
• c: 16.2153 ± 0.001 Å
• α: 90°
• β: 117.712 ± 0.001°
• γ: 90°
• Cell volume: 3094.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No