Information card for entry 4087200

Structure parameters

• Formula: C33 H29 Cl2 O P Te
• Calculated formula: C33 H29 Cl2 O P Te
• SMILES: c1(C)cc(C)cc(C)c1[Te](Cl)(Cl)c1ccc2c3c1c(P(=O)(c1ccccc1)c1ccccc1)ccc3CC2
• 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: 9.4121 ± 0.0006 Å
• b: 12.0423 ± 0.0008 Å
• c: 32.192 ± 0.002 Å
• α: 90°
• β: 97.159 ± 0.002°
• γ: 90°
• Cell volume: 3620.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No