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Information card for entry 7242212
Preview
| Coordinates | 7242212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H50 Br4 N8 O5 |
|---|---|
| Calculated formula | C52.0064 H50.016 Br4 N8 O5.0016 |
| Title of publication | Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles |
| Authors of publication | Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 7 |
| Pages of publication | 1539 - 1543 |
| a | 16.154 ± 0.0015 Å |
| b | 7.1493 ± 0.0007 Å |
| c | 23.597 ± 0.002 Å |
| α | 90° |
| β | 103.89 ± 0.003° |
| γ | 90° |
| Cell volume | 2645.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262588 (current) | 2021-03-05 | cif/ Updating files of 7242212, 7242213, 7242214, 7242215 Original log message: Adding full bibliography for 7242212--7242215.cif. |
7242212.cif |
| 261365 | 2021-02-02 | cif/ Adding structures of 7242212, 7242213, 7242214, 7242215 via cif-deposit CGI script. |
7242212.cif |
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Users of the data should acknowledge the original authors of the
structural data.