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Information card for entry 7251095
Preview
| Coordinates | 7251095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 N2 O8 |
|---|---|
| Calculated formula | C26 H30 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 |
| a | 22.1125 ± 0.0019 Å |
| b | 6.6904 ± 0.0006 Å |
| c | 16.0518 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2374.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1876 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302999 (current) | 2025-10-24 | cif/ Adding structures of 7251093, 7251094, 7251095, 7251096 via cif-deposit CGI script. |
7251095.cif |
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Users of the data should acknowledge the original authors of the
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