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Information card for entry 7231717
Preview
| Coordinates | 7231717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H94 Br2 N6 O6 |
|---|---|
| Calculated formula | C56 H94 Br2 N6 O6 |
| Title of publication | Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies |
| Authors of publication | Manna, Utsab; Das, Gopal |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 1 |
| Pages of publication | 65 |
| a | 13.2635 ± 0.0009 Å |
| b | 16.5661 ± 0.0012 Å |
| c | 28.231 ± 0.003 Å |
| α | 90° |
| β | 93.852 ± 0.007° |
| γ | 90° |
| Cell volume | 6189 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2285 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.2268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223518 (current) | 2019-11-07 | cif/ Updating files of 7231714, 7231715, 7231716, 7231717, 7231718, 7231719, 7231720, 7231721, 7231722 Original log message: Adding full bibliography for 7231714--7231722.cif. |
7231717.cif |
| 211711 | 2018-10-31 | cif/ Adding structures of 7231714, 7231715, 7231716, 7231717, 7231718, 7231719, 7231720, 7231721, 7231722 via cif-deposit CGI script. |
7231717.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.