Information card for entry 7009978

Structure parameters

• Formula: C39 H46 F6 N O9 P2 Rh
• Calculated formula: C39 H46 F6 N O9 P2 Rh
• SMILES: [Rh]123456([P](c7c(OC)cccc7OC)(c7ccccc7)C7(C(C=CC=C7OC)=[O]1)C(=C6)c1ccc(N(=O)=O)cc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].O.O.O
• 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: 15.299 ± 0.007 Å
• b: 14.826 ± 0.007 Å
• c: 19.505 ± 0.009 Å
• α: 90°
• β: 106.78 ± 0.03°
• γ: 90°
• Cell volume: 4236 ± 3 ų
• Cell temperature: 299.2 K
• Number of distinct elements: 7
• 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: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No