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Information card for entry 7124943
Preview
| Coordinates | 7124943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H31 N3 O S |
|---|---|
| Calculated formula | C29 H31 N3 O S |
| Title of publication | Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction. |
| Authors of publication | Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 71 |
| Pages of publication | 10747 - 10750 |
| a | 13.438 ± 0.003 Å |
| b | 14.165 ± 0.002 Å |
| c | 13.5796 ± 0.0019 Å |
| α | 90° |
| β | 93.657 ± 0.003° |
| γ | 90° |
| Cell volume | 2579.6 ± 0.8 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7124943.cif |
| 234367 | 2019-11-23 | cif/ Adding structures of 7124940, 7124941, 7124942, 7124943 via cif-deposit CGI script. |
7124943.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.