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Information card for entry 4112822
Preview
| Coordinates | 4112822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H35 O5 |
|---|---|
| Calculated formula | C21 H30 O5 |
| SMILES | O1CCCC2=C1[C@@H](OC(=O)[C@]13OC(=O)[C@](CC1)(C3(C)C)C)[C@H](C2)C(C)C |
| Title of publication | Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer |
| Authors of publication | Guangxin Liang; Dirk Trauner |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 9544 - 9545 |
| a | 6.1543 ± 0.0007 Å |
| b | 10.914 ± 0.001 Å |
| c | 14.747 ± 0.002 Å |
| α | 90° |
| β | 100.599 ± 0.002° |
| γ | 90° |
| Cell volume | 973.63 ± 0.19 Å3 |
| Cell temperature | 143.2 K |
| Number of distinct elements | 3 |
| 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 | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.018 |
| 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. |
4112822.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112822.cif |
| 65238 | 2012-09-05 | cif/ Adding structures of 4112822 via cif-deposit CGI script. |
4112822.cif |
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Users of the data should acknowledge the original authors of the
structural data.