Information card for entry 7129656

Structure parameters

• Formula: C64 H72 N8 O4
• Calculated formula: C64 H72 N8 O4
• Title of publication: Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes
• Authors of publication: Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.0951 ± 0.0005 Å
• b: 12.0951 ± 0.0005 Å
• c: 22.4894 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3290 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No