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Information card for entry 4113674
Preview
| Coordinates | 4113674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N O4 P |
|---|---|
| Calculated formula | C29 H26 N O4 P |
| Title of publication | anti-Selective Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Providing β-Amino Alcohols |
| Authors of publication | Shigeki Matsunaga; Naoya Kumagai; Shinji Harada; Masakatsu Shibasaki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 4712 - 4713 |
| a | 11.196 ± 0.001 Å |
| b | 8.7892 ± 0.0007 Å |
| c | 13.566 ± 0.001 Å |
| α | 90° |
| β | 108.307 ± 0.002° |
| γ | 90° |
| Cell volume | 1267.38 ± 0.18 Å3 |
| Cell temperature | 285.2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| 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. |
4113674.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113674.cif |
| 66940 | 2012-09-17 | cif/ Adding structures of 4113674 via cif-deposit CGI script. |
4113674.cif |
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Users of the data should acknowledge the original authors of the
structural data.