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Information card for entry 7206208
Preview
| Coordinates | 7206208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H25 N O3 |
|---|---|
| Calculated formula | C22 H25 N O3 |
| SMILES | O=C([O-])[C@](OC)(C)c1cccc2ccccc12.[NH3+][C@H](C)c1ccccc1 |
| Title of publication | Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid |
| Authors of publication | Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 14 |
| Pages of publication | 4536 |
| a | 9.3455 ± 0.0007 Å |
| b | 6.7383 ± 0.0004 Å |
| c | 14.6868 ± 0.0012 Å |
| α | 90° |
| β | 101.529 ± 0.004° |
| γ | 90° |
| Cell volume | 906.21 ± 0.11 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206208.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7206208.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206208.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206208.cif |
| 23575 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206208, 7206209 via cif-deposit CGI script. |
7206208.cif |
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