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Information card for entry 4104550
Preview
| Coordinates | 4104550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 N2 O3 |
|---|---|
| Calculated formula | C23 H24 N2 O3 |
| SMILES | c1c([C@]2(C(=O)[C@]3(c4ccccc4)CCN(C)C3=O)C(=O)N(CC2)C)cccc1 |
| Title of publication | Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation |
| Authors of publication | Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 8425 - 8433 |
| a | 6.8604 ± 0.0013 Å |
| b | 6.8604 ± 0.0013 Å |
| c | 40.242 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1894 ± 0.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.289 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178791 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45. |
4104550.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104550.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104550.cif |
| 29575 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104550 via cif-deposit CGI script. |
4104550.cif |
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Users of the data should acknowledge the original authors of the
structural data.