Information card for entry 7235143

Structure parameters

• Formula: C313 H317 N24 O77 S16
• Calculated formula: C313 H317 N24 O77 S16
• Title of publication: Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly
• Authors of publication: Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 14 - 17
• a: 33.621 ± 0.017 Å
• b: 38.411 ± 0.013 Å
• c: 40.234 ± 0.015 Å
• α: 90°
• β: 102.56 ± 0.04°
• γ: 90°
• Cell volume: 50715 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.82656 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No