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Information card for entry 1507109
Preview
| Coordinates | 1507109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H22 O4 |
|---|---|
| Calculated formula | C14 H22 O4 |
| SMILES | O=C1OCCCCCCCCCCOC(=O)C=C1 |
| Title of publication | Highly selective intra- and intermolecular coupling reactions of diazo compounds to form cis-alkenes using a ruthenium porphyrin catalyst. |
| Authors of publication | Li, Gong-Yong; Che, Chi-Ming |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 1621 - 1623 |
| a | 5.3875 ± 0.0013 Å |
| b | 10.514 ± 0.003 Å |
| c | 13.349 ± 0.003 Å |
| α | 78.065 ± 0.004° |
| β | 83.763 ± 0.005° |
| γ | 79.02 ± 0.004° |
| Cell volume | 724.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1612 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.802 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507109.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507109.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507109.cif |
| 51683 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507109 via cif-deposit CGI script. |
1507109.cif |
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Users of the data should acknowledge the original authors of the
structural data.