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Information card for entry 7251096
Preview
| Coordinates | 7251096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 Br2 O2 |
|---|---|
| Calculated formula | C22 H22 Br2 O2 |
| 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 | 13.123 ± 0.003 Å |
| b | 11.645 ± 0.002 Å |
| c | 12.458 ± 0.002 Å |
| α | 90° |
| β | 106.293 ± 0.002° |
| γ | 90° |
| Cell volume | 1827.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7251096.cif |
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Users of the data should acknowledge the original authors of the
structural data.