Information card for entry 4130288

Structure parameters

• Formula: C76 H72 O17
• Calculated formula: C76 H72 O17
• 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: 9.613 ± 0.005 Å
• b: 13.191 ± 0.007 Å
• c: 13.847 ± 0.007 Å
• α: 70.53 ± 0.006°
• β: 89.281 ± 0.006°
• γ: 79.425 ± 0.006°
• Cell volume: 1625.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No