Information card for entry 7720230

Structure parameters

• Formula: C62 H70 N2 O6 Se2
• Calculated formula: C62 H70 N2 O6 Se2
• Title of publication: Chalcogen bond-driven self-assembly of 4-tert-butylcalix[4]arene-ebselen conjugate
• Authors of publication: Ravi, Rajkumar; Raju, Saravanan; Butcher, Raymond J.; Karuthapandi, Selvakumar
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 44.443 ± 0.007 Å
• b: 12.6181 ± 0.0017 Å
• c: 20.733 ± 0.003 Å
• α: 90°
• β: 104.062 ± 0.004°
• γ: 90°
• Cell volume: 11278 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2437
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No