Information card for entry 7130179

Structure parameters

• Formula: C33 H24 Cl2 N4 O3 Te
• Calculated formula: C33 H24 Cl2 N4 O3 Te
• SMILES: [Te]12(N(C(=O)c3c1cccc3)c1cccc3c1nccc3)N(C(=O)c1c2cccc1)c1cccc2c1nccc2.O.ClCCl
• Title of publication: A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te
• Authors of publication: Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.0974 ± 0.0008 Å
• b: 11.6191 ± 0.0007 Å
• c: 11.6886 ± 0.0006 Å
• α: 81.846 ± 0.003°
• β: 70.846 ± 0.002°
• γ: 81.139 ± 0.002°
• Cell volume: 1399.98 ± 0.15 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.034
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No