Information card for entry 7129654

Structure parameters

• Formula: C68 H88 O12
• Calculated formula: C68 H88 O12
• 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: 13.0103 ± 0.0006 Å
• b: 19.7417 ± 0.0009 Å
• c: 24.1171 ± 0.001 Å
• α: 90°
• β: 91.046 ± 0.002°
• γ: 90°
• Cell volume: 6193.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No