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Information card for entry 7150843
Preview
| Coordinates | 7150843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C48 H67 N O5 |
|---|---|
| Calculated formula | C48 H67 N O5 |
| SMILES | [NH3+]C[C@@H](O)c1ccccc1.c1c(ccc2c1CC[C@@H]1[C@@]2(CCC[C@@]1(C)C(=O)[O-])C)C(C)C.c1c(ccc2c1CC[C@@H]1[C@@]2(CCC[C@@]1(C)C(=O)O)C)C(C)C |
| Title of publication | Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid |
| Authors of publication | Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 458 - 463 |
| a | 6.3023 ± 0.0008 Å |
| b | 19.07 ± 0.002 Å |
| c | 35.095 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4217.9 ± 0.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1378 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 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. |
7150843.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7150843.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150843.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150843.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150843.cif |
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