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Information card for entry 7220286
Preview
| Coordinates | 7220286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tetraarylpyrene |
|---|---|
| Chemical name | tetraarylpyrene |
| Formula | C45 H61 O2 |
| Calculated formula | C45 H61 O2 |
| Title of publication | Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host |
| Authors of publication | Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 5307 |
| a | 17.096 ± 0.004 Å |
| b | 11.004 ± 0.002 Å |
| c | 21.653 ± 0.005 Å |
| α | 90° |
| β | 110.79 ± 0.004° |
| γ | 90° |
| Cell volume | 3808.2 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1871 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2617 |
| Weighted residual factors for all reflections included in the refinement | 0.3125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220286.cif |
| 143446 | 2015-07-11 | cif/ Updating files of 7220283, 7220284, 7220285, 7220286, 7220287 Original log message: Adding full bibliography for 7220283--7220287.cif. |
7220286.cif |
| 135817 | 2015-05-09 | cif/ Adding structures of 7220283, 7220284, 7220285, 7220286, 7220287 via cif-deposit CGI script. |
7220286.cif |
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Users of the data should acknowledge the original authors of the
structural data.