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Information card for entry 4101744
Preview
| Coordinates | 4101744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H63 Au Cl O3 P |
|---|---|
| Calculated formula | C42 H63 Au Cl O3 P |
| SMILES | [Au](Cl)[P](Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C |
| Title of publication | Gold(I)-Catalyzed Intramolecular [4+2] Cycloadditions of Arylalkynes or 1,3-Enynes with Alkenes: Scope and Mechanism |
| Authors of publication | Nieto-Oberhuber, Cristina; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Lauterbach, Thorsten; Rodríguez, Cristina; López, Salomé; Bour, Christophe; Rosellón, Antonio; Cárdenas, Diego J.; Echavarren, Antonio M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 1 |
| Pages of publication | 269 - 279 |
| a | 10.5493 ± 0.0004 Å |
| b | 23.7803 ± 0.0009 Å |
| c | 16.6927 ± 0.0006 Å |
| α | 90° |
| β | 90.11 ± 0.002° |
| γ | 90° |
| Cell volume | 4187.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288243 (current) | 2023-12-12 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9841. This change affected only the misspelt variants of the '_diffrn_measurement_specimen_support' data name. |
4101744.cif |
| 178763 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17. |
4101744.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101744.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101744.cif |
| 22676 | 2011-07-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101744 via cif-deposit CGI script. |
4101744.cif |
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Users of the data should acknowledge the original authors of the
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