Information card for entry 1572703

Structure parameters

• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• SMILES: C1(=O)c2ccccc2c2c3cc4c(c2)N(C(=O)c2c4cccc2)CCCCCCCCN13
• Title of publication: Tether-entangled conjugated helices.
• Authors of publication: Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 17128 - 17149
• a: 8.6414 ± 0.0004 Å
• b: 10.489 ± 0.0005 Å
• c: 11.9877 ± 0.0006 Å
• α: 90°
• β: 95.388 ± 0.002°
• γ: 90°
• Cell volume: 1081.76 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0526
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: Synchrotron
• Diffraction radiation X-ray symbol: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No