Information card for entry 7129655

Structure parameters

• Formula: C92 H100 N4 O4
• Calculated formula: C92 H100 N4 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: 16.383 ± 0.011 Å
• b: 11.516 ± 0.007 Å
• c: 21.907 ± 0.015 Å
• α: 90°
• β: 113.553 ± 0.017°
• γ: 90°
• Cell volume: 3789 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No