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Information card for entry 4035171
Preview
| Coordinates | 4035171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 673 |
|---|---|
| Formula | C16 H26 O4 |
| Calculated formula | C16 H26 O4 |
| Title of publication | Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C. |
| Authors of publication | Williams, Benjamin M.; Trauner, Dirk |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 6 |
| Pages of publication | 3061 - 3068 |
| a | 10.3207 ± 0.0002 Å |
| b | 13.0112 ± 0.0003 Å |
| c | 24.0063 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3223.68 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4035171.cif |
| 226649 | 2019-11-11 | cif/ Adding structures of 4035169, 4035170, 4035171, 4035172 via cif-deposit CGI script. |
4035171.cif |
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Users of the data should acknowledge the original authors of the
structural data.