Information card for entry 4087206

Structure parameters

• Formula: C18 H22 Cl3 O P Te
• Calculated formula: C18 H22 Cl3 O P Te
• SMILES: [Te]1(Cl)(Cl)(Cl)[O]=P(c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C
• 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: 9.2187 ± 0.0012 Å
• b: 11.8772 ± 0.0013 Å
• c: 18.454 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2020.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0491
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No