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Information card for entry 1519634
Preview
| Coordinates | 1519634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63.2 H72.55 I6 N13.06 Zn3 |
|---|---|
| Calculated formula | C63.197 H72.553 I6 N13.062 Zn3 |
| Title of publication | Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method |
| Authors of publication | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 3765 |
| a | 35.1081 ± 0.0009 Å |
| b | 14.6516 ± 0.0002 Å |
| c | 31.3279 ± 0.0008 Å |
| α | 90° |
| β | 101.649 ± 0.002° |
| γ | 90° |
| Cell volume | 15782.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1519634.cif |
| 143340 | 2015-07-10 | cif/ Updating files of 1519634, 1519635, 1519636, 1519637, 1519638, 1519639 Original log message: Adding full bibliography for 1519634--1519639.cif. |
1519634.cif |
| 136480 | 2015-05-14 | cif/ Adding structures of 1519634, 1519635, 1519636, 1519637, 1519638, 1519639 via cif-deposit CGI script. |
1519634.cif |
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Users of the data should acknowledge the original authors of the
structural data.