Information card for entry 7112160

Structure parameters

• Formula: C72 H72 N8 O2
• Calculated formula: C70 H69 N7 O2
• Title of publication: Synthesis and anion binding studies of o-phenylenevinylene-bridged tetrapyrrolic macrocycle as an expanded analogue of calix[4]pyrrole
• Authors of publication: Sudip Kumar Ghosh; Masatoshi Ishida; Jiazhu Li; Won-Young Cha; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3753
• a: 16.3594 ± 0.0012 Å
• b: 16.2083 ± 0.0013 Å
• c: 24.658 ± 0.002 Å
• α: 90°
• β: 90.182 ± 0.004°
• γ: 90°
• Cell volume: 6538.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1582
• Residual factor for significantly intense reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.3419
• Weighted residual factors for all reflections included in the refinement: 0.3655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No