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Information card for entry 4110843
Preview
| Coordinates | 4110843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H60 Br12 O16 Zr4 |
|---|---|
| Calculated formula | C120 Br12 O16 Zr4 |
| Title of publication | Remarkably Stable Chiral Zirconium Complexes for Asymmetric Mannich-Type Reactions |
| Authors of publication | Kowichiro Saruhashi; Shū Kobayashi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 11232 - 11235 |
| a | 32.163 ± 0.005 Å |
| b | 32.163 ± 0.005 Å |
| c | 32.163 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 33271 ± 9 Å3 |
| Cell temperature | 100.1 K |
| Number of distinct elements | 5 |
| Space group number | 209 |
| Hermann-Mauguin space group symbol | F 4 3 2 |
| Hall space group symbol | F 4 2 3 |
| Residual factor for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.3523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.513 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110843.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110843.cif |
| 59695 | 2012-06-13 | cif/ Adding structures of 4110843 via cif-deposit CGI script. |
4110843.cif |
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Users of the data should acknowledge the original authors of the
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