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Information card for entry 1544465
Preview
| Coordinates | 1544465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ysl-cycloaddition-pro-CO2Me-unnatural |
|---|---|
| Formula | C25 H30 N2 O7 |
| Calculated formula | C25 H30 N2 O7 |
| SMILES | O=C1N2[C@@]34O[C@]([C@H]5N(c6c([C@@]45CC2)ccc(OC)c6)C)([C@H]([C@]3(CC1)CC)C(=O)OC)C(=O)OC |
| Title of publication | Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. |
| Authors of publication | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 1560 - 1569 |
| a | 8.9658 ± 0.0001 Å |
| b | 14.5779 ± 0.0002 Å |
| c | 17.7311 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2317.5 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0305 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193729 (current) | 2017-03-05 | cif/ Updating files of 1544462, 1544463, 1544464, 1544465 Original log message: Adding full bibliography for 1544462--1544465.cif. |
1544465.cif |
| 191522 | 2017-02-04 | cif/ Updating files of 1544462, 1544463, 1544464, 1544465 Original log message: Adding full bibliography for 1544462--1544465.cif. |
1544465.cif |
| 187799 | 2016-11-04 | cif/ Adding structures of 1544462, 1544463, 1544464, 1544465 via cif-deposit CGI script. |
1544465.cif |
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Users of the data should acknowledge the original authors of the
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