Information card for entry 4130292

Structure parameters

• Formula: C70 H46 N4 O14
• Calculated formula: C70 H46 N4 O14
• SMILES: C1#CC=C(C#CC#CC(=CC#CC#CC=C(C#CC#CC(=CC#C1)COC(=O)c1ccc(O)cc1)COC(=O)c1ccc(O)cc1)COC(=O)c1ccc(O)cc1)COC(=O)c1ccc(O)cc1.O=C(NCc1cnccc1)C(=O)NCc1cnccc1
• Title of publication: Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.
• Authors of publication: Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5939 - 5956
• a: 38.92 ± 0.02 Å
• b: 4.918 ± 0.003 Å
• c: 38.53 ± 0.02 Å
• α: 90°
• β: 101.655 ± 0.012°
• γ: 90°
• Cell volume: 7223 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No