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Information card for entry 4513482
Preview
| Coordinates | 4513482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 |
|---|---|
| Calculated formula | C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 |
| Title of publication | Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines |
| Authors of publication | Ziach, Krzysztof; Jurczak, Janusz |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4372 |
| a | 10.1382 ± 0.0008 Å |
| b | 12.666 ± 0.001 Å |
| c | 14.0264 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1801.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513482.cif |
| 176428 | 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. |
4513482.cif |
| 154585 | 2015-09-05 | cif/ Updating files of 4513482, 4513483, 4513484, 4513485, 4513486 Original log message: Adding full bibliography for 4513482--4513486.cif. |
4513482.cif |
| 152754 | 2015-08-05 | cif/ Adding structures of 4513482 via cif-deposit CGI script. |
4513482.cif |
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Users of the data should acknowledge the original authors of the
structural data.