Information card for entry 4127311

Structure parameters

• Formula: C66 H55 N7 O13
• Calculated formula: C66 H55 N7 O13
• Title of publication: Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.
• Authors of publication: Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 34.5345 ± 0.0011 Å
• b: 34.5345 ± 0.0011 Å
• c: 8.5499 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8830.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 K
• Number of distinct elements: 4
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No