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Information card for entry 4026873
Preview
| Coordinates | 4026873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H23 Cl3 O4 |
|---|---|
| Calculated formula | C16 H23 Cl3 O4 |
| Title of publication | Stereoselective Total Synthesis of (\±)-Peribysin E |
| Authors of publication | Hung-Yi Lee; Chin-Kang Sha |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 598 - 605 |
| a | 19.8762 ± 0.0005 Å |
| b | 19.8762 ± 0.0005 Å |
| c | 10.665 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4213.4 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1132 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1635 |
| Weighted residual factors for all reflections included in the refinement | 0.192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178447 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68. |
4026873.cif |
| 80927 | 2013-04-11 | cif/ Adding structures of 4026873 via cif-deposit CGI script. |
4026873.cif |
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Users of the data should acknowledge the original authors of the
structural data.