Information card for entry 4130291

Structure parameters

• Formula: C56 H28 I4 O8
• Calculated formula: C56 H28 I4 O8
• SMILES: Ic1cc(C(=O)OCC2=CC#CC#CC=C(C#CC#CC(=CC#CC#CC=C(C#CC#C2)COC(=O)c2cccc(I)c2)COC(=O)c2cc(I)ccc2)COC(=O)c2cccc(I)c2)ccc1
• 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: 9.2751 ± 0.0014 Å
• b: 11.8804 ± 0.0018 Å
• c: 13.115 ± 0.002 Å
• α: 103.213 ± 0.002°
• β: 104.214 ± 0.002°
• γ: 112.564 ± 0.002°
• Cell volume: 1206.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No