Information card for entry 4135440

Structure parameters

• Common name: NP5H
• Formula: C178 H86 N10 O20
• Calculated formula: C175.5 H81 N10 O20
• SMILES: O=C1N(C(=O)c2c3c4c5c6c(c7c(c8c9c(ccc8cc7)c7c8c%10c%11c(C(=O)N(C(CCCCC)CCCCC)C(=O)c%11cc%11c%10c%10c%12c8c9cc8c%12c(cc%10c9c%10c%12c(c%13c%14c%15c%16c%17c(cc%18c%16c(cc%12%15)C(=O)N(C%18=O)C(CCCCC)CCCCC)c%12c%15c(ccc%16c%18c%19c%20c%21c(cc%22c%20c(c%18)C(=O)N(C%22=O)C(CCCCC)CCCCC)c%18ccc%20c(c%18c%18c%21c%21c%22c(C(=O)N(C(=O)c%22cc(c%19%21)c%15%16)C(CCCCC)CCCCC)c%18)c%15c(cc%20)c%16c%18c%19c(c%20ccc%21C(=O)N(C(CCCCC)CCCCC)C(=O)c%22c%21c%20c%18c%15c%22)ccc%15c%19c(c%16)C(=O)N(C%15=O)C(CCCCC)CCCCC)ccc%12c%12c%17c%14c%14c(C(=O)N(C(CCCCC)CCCCC)C(=O)c%14c%12)c%13)ccc%10ccc%119)C(=O)N(C8=O)C(CCCCC)CCCCC)c7)c5cc13)cc1c3c(C(=O)N(C1=O)C(CCCCC)CCCCC)ccc(c4cc2)c63)C(CCCCC)CCCCC
• 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