Information card for entry 4125045

Structure parameters

• Formula: C235 H215 N33 O57
• Calculated formula: C235 H215 N33 O57
• Title of publication: Chiral Redox-Active Isosceles Triangles.
• Authors of publication: Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5968 - 5977
• a: 18.6699 ± 0.0009 Å
• b: 18.7951 ± 0.0009 Å
• c: 33.5586 ± 0.0016 Å
• α: 90°
• β: 94.656 ± 0.002°
• γ: 90°
• Cell volume: 11736.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No