Information card for entry 4133326

Structure parameters

• Formula: C51 H54 Cl0.5 Cs F0.5 N4 O7
• Calculated formula: C51.2 H54 Cl0.4 Cs F0.5 N4 O7.1
• Title of publication: Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.
• Authors of publication: Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 41
• Pages of publication: 13219 - 13222
• a: 25.8755 ± 0.0002 Å
• b: 23.2023 ± 0.0002 Å
• c: 17.0251 ± 0.0001 Å
• α: 90°
• β: 92.263 ± 0.001°
• γ: 90°
• Cell volume: 10213.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No