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Information card for entry 4131955
Preview
| Coordinates | 4131955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 Cl2 N2 O4 |
|---|---|
| Calculated formula | C22 H24 Cl2 N2 O4 |
| Title of publication | Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship. |
| Authors of publication | Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 16 |
| Pages of publication | 5393 - 5400 |
| a | 7.3663 ± 0.0005 Å |
| b | 11.4058 ± 0.0008 Å |
| c | 12.1822 ± 0.0008 Å |
| α | 85.2854 ± 0.0018° |
| β | 81.2598 ± 0.0019° |
| γ | 85.079 ± 0.002° |
| Cell volume | 1005.43 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.2224 |
| Weighted residual factors for all reflections included in the refinement | 0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242025 (current) | 2019-11-25 | cif/ Adding structures of 4131955 via cif-deposit CGI script. |
4131955.cif |
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Users of the data should acknowledge the original authors of the
structural data.