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Information card for entry 1544462
Preview
| Coordinates | 1544462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ysl-cycloaddition-pro-Allyl |
|---|---|
| Formula | C27 H32 N2 O7 |
| Calculated formula | C27 H32 N2 O7 |
| SMILES | O(c1cc2N([C@H]3[C@]4(c2cc1)CCN1[C@@]24O[C@@]3(C(=O)OC)[C@H]([C@]2(CCC1=O)CC)C(=O)OCC=C)C)C.O(c1cc2N([C@@H]3[C@@]4(c2cc1)CCN1[C@]24O[C@]3(C(=O)OC)[C@@H]([C@@]2(CCC1=O)CC)C(=O)OCC=C)C)C |
| 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 | 9.067 ± 0.005 Å |
| b | 9.572 ± 0.004 Å |
| c | 14.08 ± 0.007 Å |
| α | 89.833 ± 0.015° |
| β | 82.205 ± 0.018° |
| γ | 85.541 ± 0.016° |
| Cell volume | 1207 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1544462.cif |
| 191522 | 2017-02-04 | cif/ Updating files of 1544462, 1544463, 1544464, 1544465 Original log message: Adding full bibliography for 1544462--1544465.cif. |
1544462.cif |
| 187799 | 2016-11-04 | cif/ Adding structures of 1544462, 1544463, 1544464, 1544465 via cif-deposit CGI script. |
1544462.cif |
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Users of the data should acknowledge the original authors of the
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