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Information card for entry 1503375
Preview
| Coordinates | 1503375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AG03-p34 |
|---|---|
| Chemical name | toste16 |
| Formula | C69 H48 Au Cl3 N O2 P |
| Calculated formula | C69 H48 Au Cl3 N O2 P |
| SMILES | [C@@H](c1ccccc1)(C)N([C@H](c1ccccc1)C)[P]1(Oc2c(cc3ccccc3c2c2c3ccccc3cc(c2O1)c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34)[Au]Cl.C(Cl)Cl |
| Title of publication | Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes. |
| Authors of publication | González, Ana Z; Toste, F. Dean |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 200 - 203 |
| a | 13.018 ± 0.0004 Å |
| b | 17.4743 ± 0.0007 Å |
| c | 25.6126 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5826.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1503375.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. |
1503375.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503375.cif |
| 37249 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503375 via cif-deposit CGI script. |
1503375.cif |
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