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Information card for entry 7251094
Preview
| Coordinates | 7251094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N2 O8 |
|---|---|
| Calculated formula | C26 H28 N2 O8 |
| Title of publication | Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties |
| Authors of publication | Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 47 |
| Pages of publication | 7655 - 7661 |
| a | 7.0389 ± 0.0014 Å |
| b | 10.51 ± 0.002 Å |
| c | 15.782 ± 0.003 Å |
| α | 91.671 ± 0.004° |
| β | 90.864 ± 0.004° |
| γ | 100.318 ± 0.004° |
| Cell volume | 1147.9 ± 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 304100 (current) | 2025-12-07 | cif/ Updating files of 7251093, 7251094, 7251095, 7251096 Original log message: Adding full bibliography for 7251093--7251096.cif. |
7251094.cif |
| 302999 | 2025-10-24 | cif/ Adding structures of 7251093, 7251094, 7251095, 7251096 via cif-deposit CGI script. |
7251094.cif |
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Users of the data should acknowledge the original authors of the
structural data.