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Information card for entry 4507426
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| Coordinates | 4507426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 1c |
|---|---|
| Chemical name | (2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5- methyloxazolidine-4-carboxylic acid |
| Formula | C14 H19 N O5 |
| Calculated formula | C14 H19 N O5 |
| SMILES | o1c(ccc1)C(=O)N1[C@@H](O[C@H]([C@@H]1C(=O)O)C)C(C)(C)C |
| Title of publication | Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. |
| Authors of publication | Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. |
| Journal of publication | ACS Combinatorial Science |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 73 |
| a | 7.1189 ± 0.0001 Å |
| b | 7.5252 ± 0.0001 Å |
| c | 8.242 ± 0.0001 Å |
| α | 104.816 ± 0.001° |
| β | 115.534 ± 0.001° |
| γ | 96.832 ± 0.001° |
| Cell volume | 371.632 ± 0.01 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179610 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74. |
4507426.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507426.cif |
| 73969 | 2013-02-21 | cif/ Adding structures of 4507419, 4507420, 4507421, 4507422, 4507423, 4507424, 4507425, 4507426, 4507427 via cif-deposit CGI script. |
4507426.cif |
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Users of the data should acknowledge the original authors of the
structural data.