Information card for entry 4122206

Structure parameters

• Formula: C50 H34 F6 O9 P2 S2
• Calculated formula: C50 H34 F6 O9 P2 S2
• SMILES: P(=O)(c1cccc2c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3c3c(OS(=O)(=O)C(F)(F)F)cccc3c3cccc(OS(=O)(=O)C(F)(F)F)c3c12)(c1ccccc1)c1ccccc1.O
• 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: 10.3423 ± 0.0006 Å
• b: 29.4187 ± 0.0017 Å
• c: 15.2361 ± 0.0009 Å
• α: 90°
• β: 96.53 ± 0.001°
• γ: 90°
• Cell volume: 4605.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No