Information card for entry 1562833

Structure parameters

• Formula: C19 H9.5 B Li N0.5 O6
• Calculated formula: C19 H8 B Li N0.5 O6
• Title of publication: Single crystals of mechanically entwined helical covalent polymers
• Authors of publication: Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei
• Journal of publication: Nature Chemistry
• Year of publication: 2021
• Pages of publication: 1
• a: 15.2478 ± 0.0011 Å
• b: 19.3901 ± 0.0011 Å
• c: 19.4093 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5738.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No