Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555356
Preview
| Coordinates | 1555356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZWX |
|---|---|
| Formula | C98 H156 Cd4 Cl14 Lu2 N56 O62 |
| Calculated formula | C98 H98 Cd4 Cl14 Lu2 N56 O37 |
| Title of publication | A Hemimethyl-Substituted Cucurbit[7]uril Derived from 3α-Methyl-glycoluril. |
| Authors of publication | Zhao, Wen-Xuan; Wang, Chuan-Zeng; Chen, Li-Xia; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Huang, Ying; Tao, Zhu; Zhu, Qian-Jiang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5072 - 5075 |
| a | 35.112 ± 0.002 Å |
| b | 12.3662 ± 0.0005 Å |
| c | 19.6459 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8530.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1815 |
| Residual factor for significantly intense reflections | 0.1322 |
| Weighted residual factors for significantly intense reflections | 0.3694 |
| Weighted residual factors for all reflections included in the refinement | 0.4214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238543 (current) | 2019-11-24 | cif/ Adding structures of 1555356 via cif-deposit CGI script. |
1555356.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.