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Information card for entry 2225740
Preview
| Coordinates | 2225740.cif |
|---|---|
| Structure factors | 2225740.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (6<i>R</i>)-2-<i>tert</i>-Butyl-6-[(4<i>R</i>,5<i>S</i>)-3-isopropyl-4-methyl- 5-phenyloxazolidin-2-yl]phenol |
|---|---|
| Formula | C23 H31 N O2 |
| Calculated formula | C23 H31 N O2 |
| SMILES | O1[C@@H](N(C(C)C)[C@@H]([C@@H]1c1ccccc1)C)c1c(O)c(ccc1)C(C)(C)C |
| Title of publication | (6<i>R</i>)-2-<i>tert</i>-Butyl-6-[(4<i>R</i>,5<i>S</i>)-3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol |
| Authors of publication | Koyanagi, Takaoki; Edler, Kate L.; Parrott, II, Raleigh W.; Hitchcock, Shawn R.; Ferrence, Gregory M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | o898 - o899 |
| a | 9.5077 ± 0.0006 Å |
| b | 7.3257 ± 0.0005 Å |
| c | 14.983 ± 0.001 Å |
| α | 90° |
| β | 101.615 ± 0.001° |
| γ | 90° |
| Cell volume | 1022.2 ± 0.12 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
2225740.cif 2225740.hkl |
| 181178 | 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 2/22/57. |
2225740.cif 2225740.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2225740.cif 2225740.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225740.cif 2225740.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. | 2225740.cif 2225740.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225740.cif 2225740.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225740.cif 2225740.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225740.cif |
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Users of the data should acknowledge the original authors of the
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