Information card for entry 4135440

Structure parameters

• Common name: NP5H
• Formula: C351 H162 N20 O40
• Calculated formula: C351 H162 N20 O40
• Title of publication: Chirality Amplified: Long, Discrete Helicene Nanoribbons
• Authors of publication: Xiao, Xiao; Pedersen, Stephan K.; Aranda, Daniel; Yang, Jingjing; Wiscons, Ren A.; Pittelkow, Michael; Steigerwald, Michael L.; Santoro, Fabrizio; Schuster, Nathaniel J.; Nuckolls, Colin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 33.739 ± 0.0006 Å
• b: 39.7538 ± 0.001 Å
• c: 43.9214 ± 0.0013 Å
• α: 90°
• β: 96.384 ± 0.002°
• γ: 90°
• Cell volume: 58544 ± 3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2716
• Residual factor for significantly intense reflections: 0.2168
• Weighted residual factors for significantly intense reflections: 0.4906
• Weighted residual factors for all reflections included in the refinement: 0.5446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.599
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No