Information card for entry 7009979

Structure parameters

• Formula: C49 H47 F6 O6 P2 Rh
• Calculated formula: C49 H47 F6 O6 P2 Rh
• SMILES: [Rh]123456([P](c7ccccc7)(c7ccccc7)c7c(OC)cccc7[O]1C(=CC=C6c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P‒C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †
• Authors of publication: Yamamoto, Yasuhiro; Sugawara, Kenichiro
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2896
• a: 15.534 ± 0.003 Å
• b: 19.986 ± 0.003 Å
• c: 15.757 ± 0.003 Å
• α: 90°
• β: 103.7 ± 0.01°
• γ: 90°
• Cell volume: 4752.8 ± 1.5 ų
• Cell temperature: 299.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No