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Information card for entry 4034760
Preview
| Coordinates | 4034760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N O4 |
|---|---|
| Calculated formula | C12 H15 N O4 |
| SMILES | O1[C@H](Cc2c(ccc(c12)C)N(=O)=O)C(O)(C)C |
| Title of publication | Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B. |
| Authors of publication | Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 24 |
| Pages of publication | 15136 - 15143 |
| a | 8.4894 ± 0.0001 Å |
| b | 11.0722 ± 0.0002 Å |
| c | 12.8612 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1208.91 ± 0.03 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226283 (current) | 2019-11-11 | cif/ Adding structures of 4034760 via cif-deposit CGI script. |
4034760.cif |
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Users of the data should acknowledge the original authors of the
structural data.