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Information card for entry 7151266
Preview
| Coordinates | 7151266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H29 O4 P |
|---|---|
| Calculated formula | C23 H29 O4 P |
| SMILES | P(=O)(O[C@@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1)CC)(c1ccccc1)c1ccccc1 |
| Title of publication | Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure. |
| Authors of publication | Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2006 |
| Journal volume | 4 |
| Journal issue | 16 |
| Pages of publication | 3113 - 3116 |
| a | 5.8939 ± 0.0002 Å |
| b | 8.5144 ± 0.0003 Å |
| c | 11.3355 ± 0.0004 Å |
| α | 82.108 ± 0.002° |
| β | 87.448 ± 0.002° |
| γ | 82.337 ± 0.002° |
| Cell volume | 558.23 ± 0.03 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| 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. |
7151266.cif |
| 180298 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/12. |
7151266.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151266.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151266.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7151266.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.