Information card for entry 4070055

Structure parameters

• Formula: C35 H32 I2 O3 P2 Pt
• Calculated formula: C35 H32 I2 O3 P2 Pt
• SMILES: [Pt]1(I)(I)[P@@]2(c3ccccc3)[C@@H]3C(=C(C)[C@H]2[C@@]2([C@H]3O[C@H](C2)OC(=O)c2ccccc2)[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: Enantioselective Diels−Alder Reaction of 3-Diphenylphosphinofuran with 1-Phenyl-3,4-dimethylphosphole and Subsequent Synthetic Manipulations of the Cycloadduct
• Authors of publication: Liu, Fengli; Pullarkat, Sumod A.; Tan, Kien-Wee; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6254
• a: 12.3171 ± 0.0002 Å
• b: 14.4668 ± 0.0002 Å
• c: 18.6833 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3329.16 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No