Information card for entry 4087201

Structure parameters

• Formula: C35 H32 Br4 N O P Te
• Calculated formula: C35 H32 Br4 N O P Te
• SMILES: [O]1=P(c2ccccc2)(c2ccc3CCc4c3c2c([Te]1(Br)c1c(C)cc(C)cc1C)cc4)c1ccccc1.[Br-](Br)Br.N#CC
• Title of publication: Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P–E···Te(II,IV) Bonding Situations (E = O, S, Se)
• Authors of publication: Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 11.6319 ± 0.0003 Å
• b: 17.1307 ± 0.0005 Å
• c: 18.1467 ± 0.0005 Å
• α: 90°
• β: 108.094 ± 0.002°
• γ: 90°
• Cell volume: 3437.14 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No