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Information card for entry 4134663
Preview
Coordinates | 4134663.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H61 I4 N11 O18 |
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Calculated formula | C56 H41 I4 N11 O18 |
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 | 8.4685 ± 0.0004 Å |
b | 15.1856 ± 0.0004 Å |
c | 25.6622 ± 0.0007 Å |
α | 74.699 ± 0.002° |
β | 89.369 ± 0.003° |
γ | 78.998 ± 0.003° |
Cell volume | 3121.95 ± 0.19 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0942 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.1567 |
Weighted residual factors for all reflections included in the refinement | 0.1721 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4134663.html
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Users of the data should acknowledge the original authors of the
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