Information card for entry 4087204

Structure parameters

• Formula: C24 H18 Br3 O P Te
• Calculated formula: C24 H18 Br3 O P Te
• SMILES: [Te]1(Br)(Br)(Br)[O]=P(c2ccccc2)(c2ccccc2)c2c3c1ccc1c3c(cc2)CC1
• 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: 9.5112 ± 0.0003 Å
• b: 9.6006 ± 0.0003 Å
• c: 14.5901 ± 0.0005 Å
• α: 95.366 ± 0.001°
• β: 99.058 ± 0.001°
• γ: 116.802 ± 0.001°
• Cell volume: 1153.68 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No