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Information card for entry 2228451
Preview
| Coordinates | 2228451.cif |
|---|---|
| Structure factors | 2228451.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (2<i>R</i>,4<i>R</i>)-1-(<i>tert</i>-Butoxycarbonyl)-4-methoxypyrrolidine-2- carboxylic acid |
|---|---|
| Formula | C11 H19 N O5 |
| Calculated formula | C11 H19 N O5 |
| SMILES | O([C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)C |
| Title of publication | (2<i>R</i>,4<i>R</i>)-1-(<i>tert</i>-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid |
| Authors of publication | Yuan, Jing; Cai, Zhi-Qiang; Huang, Chang-Jiang; Xu, Wei-Ren |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3258 |
| a | 6.4299 ± 0.0013 Å |
| b | 9.784 ± 0.002 Å |
| c | 10.279 ± 0.002 Å |
| α | 90° |
| β | 90.12 ± 0.03° |
| γ | 90° |
| Cell volume | 646.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228451.cif 2228451.hkl |
| 181205 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228451.cif 2228451.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2228451.cif 2228451.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228451.cif 2228451.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228451.cif 2228451.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228451.cif 2228451.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228451.cif 2228451.hkl |
| 5788 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228442, 2228443, 2228444, 2228445, 2228446, 2228447, 2228448, 2228449, 2228450, 2228451 via cif-deposit CGI script. |
2228451.cif |
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Users of the data should acknowledge the original authors of the
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