Information card for entry 1568271

Structure parameters

• Formula: C96 H148 N6 O9
• Calculated formula: C96 H148 N6 O9
• Title of publication: Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.
• Authors of publication: Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1218 - 1226
• a: 17.4296 ± 0.0003 Å
• b: 29.0372 ± 0.0005 Å
• c: 18.0368 ± 0.0002 Å
• α: 90°
• β: 91.2569 ± 0.0012°
• γ: 90°
• Cell volume: 9126.4 ± 0.2 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No