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Information card for entry 7247593
Preview
| Coordinates | 7247593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 N2 O7 |
|---|---|
| Calculated formula | C26 H30 N2 O7 |
| Title of publication | Multiple intermolecular interactions in guest inclusion by acyclic host compounds |
| Authors of publication | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 44 |
| Pages of publication | 6137 - 6143 |
| a | 7.0766 ± 0.0014 Å |
| b | 10.505 ± 0.002 Å |
| c | 15.939 ± 0.003 Å |
| α | 95.513 ± 0.006° |
| β | 93.85 ± 0.006° |
| γ | 100.486 ± 0.005° |
| Cell volume | 1155.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288774 (current) | 2024-01-06 | cif/ Updating files of 7247591, 7247592, 7247593, 7247594, 7247595, 7247596 Original log message: Adding full bibliography for 7247591--7247596.cif. |
7247593.cif |
| 287151 | 2023-10-28 | cif/ Adding structures of 7247591, 7247592, 7247593, 7247594, 7247595, 7247596 via cif-deposit CGI script. |
7247593.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.