Information card for entry 7052630

Structure parameters

• Formula: C47 H58 O14.4
• Calculated formula: C47 H58 O14.191
• Title of publication: Solvent mediated self-assembly of organic nanostructures
• Authors of publication: Maerz, Andrew K.; Fowler, Drew A.; Mossine, Andrew V.; Mistry, Miten; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 784
• a: 39.531 ± 0.007 Å
• b: 10.5545 ± 0.0018 Å
• c: 23.913 ± 0.004 Å
• α: 90°
• β: 111.845 ± 0.002°
• γ: 90°
• Cell volume: 9261 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1495
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.3266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No