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Information card for entry 7235720
Preview
| Coordinates | 7235720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H28 N2 O5 |
|---|---|
| Calculated formula | C16 H28 N2 O5 |
| Title of publication | Stereospecific synthetic approach towards Tamiflu using the Ramberg–Backlund reaction from cysteine hydrochloride |
| Authors of publication | Chavan, Subhash P.; Chavan, Prakash N.; Gonnade, Rajesh G. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 107 |
| Pages of publication | 62281 |
| a | 5.0614 ± 0.0019 Å |
| b | 17.562 ± 0.006 Å |
| c | 19.408 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1725.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1696 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2631 |
| Weighted residual factors for all reflections included in the refinement | 0.3175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7235720.cif |
| 233255 | 2019-11-23 | cif/ Adding structures of 7235720 via cif-deposit CGI script. |
7235720.cif |
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Users of the data should acknowledge the original authors of the
structural data.