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Information card for entry 7232104
Preview
| Coordinates | 7232104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H42 Cl2 N4 O6 |
|---|---|
| Calculated formula | C38 H42 Cl2 N4 O6 |
| Title of publication | Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule |
| Authors of publication | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 10 |
| Pages of publication | 1548 |
| a | 9.9249 ± 0.0009 Å |
| b | 13.0873 ± 0.0012 Å |
| c | 15.1023 ± 0.0014 Å |
| α | 78.486 ± 0.003° |
| β | 71.671 ± 0.003° |
| γ | 71.466 ± 0.003° |
| Cell volume | 1754.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.1851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232104.cif |
| 223481 | 2019-11-07 | cif/ Updating files of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 Original log message: Adding full bibliography for 7232101--7232107.cif. |
7232104.cif |
| 212927 | 2019-01-11 | cif/ Adding structures of 7232101, 7232102, 7232103, 7232104, 7232105, 7232106, 7232107 via cif-deposit CGI script. |
7232104.cif |
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Users of the data should acknowledge the original authors of the
structural data.