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Information card for entry 7222252
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| Coordinates | 7222252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3) |
|---|---|
| Formula | C74 H74.72 N2 O2 |
| Calculated formula | C74 H74.72 N2 O2 |
| Title of publication | Separation of lutidines by enclathration |
| Authors of publication | Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 8332 |
| a | 8.815 ± 0.0018 Å |
| b | 10.541 ± 0.002 Å |
| c | 16.794 ± 0.003 Å |
| α | 75.3 ± 0.03° |
| β | 88.23 ± 0.03° |
| γ | 76.92 ± 0.03° |
| Cell volume | 1469.7 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1522 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.2235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
7222252.cif |
| 171061 | 2015-12-09 | cif/ Updating files of 7222248, 7222249, 7222250, 7222251, 7222252, 7222253, 7222254, 7222255 Original log message: Adding full bibliography for 7222248--7222255.cif. |
7222252.cif |
| 158204 | 2015-09-22 | cif/ Adding structures of 7222248, 7222249, 7222250, 7222251, 7222252, 7222253, 7222254, 7222255 via cif-deposit CGI script. |
7222252.cif |
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Users of the data should acknowledge the original authors of the
structural data.