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Information card for entry 4113015
Preview
| Coordinates | 4113015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Br3 N2 O4 Sc |
|---|---|
| Calculated formula | C20 H26 Br3 N2 O4 Sc |
| Title of publication | Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex |
| Authors of publication | Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 12236 - 12237 |
| a | 17.53 ± 0.03 Å |
| b | 17.53 ± 0.03 Å |
| c | 8.28 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2544 ± 7 Å3 |
| Cell temperature | 107.1 K |
| Number of distinct elements | 6 |
| Space group number | 94 |
| Hermann-Mauguin space group symbol | P 42 21 2 |
| Hall space group symbol | P 4n 2n |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4113015.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113015.cif |
| 65435 | 2012-09-05 | cif/ Adding structures of 4113015 via cif-deposit CGI script. |
4113015.cif |
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Users of the data should acknowledge the original authors of the
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