Information card for entry 7130178

Structure parameters

• Formula: C68 H48 N4 O4
• Calculated formula: C68 H48 N4 O4
• 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: 8.8678 ± 0.0011 Å
• b: 34.13 ± 0.004 Å
• c: 8.4805 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.7 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1035
• 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