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Information card for entry 1555367
Preview
| Coordinates | 1555367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N O7 |
|---|---|
| Calculated formula | C18 H23 N O7 |
| SMILES | C1OC2(C[C@H](C(=O)CC2)C[C@@H](N(=O)=O)c2ccc(OC)c(OC)c2)OC1 |
| Title of publication | Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene. |
| Authors of publication | N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5312 - 5315 |
| a | 10.2093 ± 0.0001 Å |
| b | 10.2093 ± 0.0001 Å |
| c | 30.4222 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2746.08 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238562 (current) | 2019-11-24 | cif/ Adding structures of 1555367 via cif-deposit CGI script. |
1555367.cif |
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Users of the data should acknowledge the original authors of the
structural data.