Information card for entry 4125547

Structure parameters

• Formula: C116.95 H107.85 N12 O12
• Calculated formula: C116.95 H107.85 N12 O12
• Title of publication: Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.
• Authors of publication: Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 9
• Pages of publication: 3348 - 3351
• a: 18.6825 ± 0.0012 Å
• b: 24.9889 ± 0.0014 Å
• c: 26.0603 ± 0.0017 Å
• α: 75.543 ± 0.005°
• β: 77.656 ± 0.005°
• γ: 89.992 ± 0.005°
• Cell volume: 11490.5 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 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: 0.2119
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3125
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.695
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No