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Information card for entry 7235591
Preview
| Coordinates | 7235591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H29 N O5 S |
|---|---|
| Calculated formula | C21 H29 N O5 S |
| Title of publication | Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin |
| Authors of publication | Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 31 |
| Pages of publication | 16233 |
| a | 9.0903 ± 0.0001 Å |
| b | 9.5673 ± 0.0001 Å |
| c | 24.6946 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2147.68 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.0214 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for all reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0124 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235591.cif |
| 233155 | 2019-11-23 | cif/ Adding structures of 7235587, 7235588, 7235589, 7235590, 7235591, 7235592, 7235593 via cif-deposit CGI script. |
7235591.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.