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Information card for entry 1556111
Preview
| Coordinates | 1556111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 Cl N O5 |
|---|---|
| Calculated formula | C21 H22 Cl N O5 |
| SMILES | O1[C@H]([C@H]([C@H]2[C@@H]1OC(=O)C2)c1ccccc1)C(=O)[O-].Clc1ccc(cc1)[C@H]([NH3+])C |
| Title of publication | Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure. |
| Authors of publication | Weisser, Roland; Yue, Weimin; Reiser, Oliver |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 24 |
| Pages of publication | 5353 - 5356 |
| a | 11.9029 ± 0.0013 Å |
| b | 6.4499 ± 0.0004 Å |
| c | 13.0137 ± 0.0014 Å |
| α | 90° |
| β | 99.747 ± 0.013° |
| γ | 90° |
| Cell volume | 984.67 ± 0.17 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 ± 1 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 all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243473 (current) | 2019-11-26 | cif/ Adding structures of 1556111 via cif-deposit CGI script. |
1556111.cif |
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Users of the data should acknowledge the original authors of the
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