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Information card for entry 4134660
Preview
Coordinates | 4134660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H68 N10 O29 |
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Calculated formula | C78 H61 N10 O29 |
Title of publication | Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects. |
Authors of publication | Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 8.155 ± 0.003 Å |
b | 13.187 ± 0.003 Å |
c | 17.132 ± 0.003 Å |
α | 96.26 ± 0.018° |
β | 90.4 ± 0.02° |
γ | 107.24 ± 0.03° |
Cell volume | 1747.6 ± 0.9 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1273 |
Residual factor for significantly intense reflections | 0.0784 |
Weighted residual factors for significantly intense reflections | 0.1781 |
Weighted residual factors for all reflections included in the refinement | 0.2175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4134660.html
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Users of the data should acknowledge the original authors of the
structural data.