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Information card for entry 4115380
Preview
| Coordinates | 4115380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C34 H44 |
|---|---|
| Calculated formula | C34 H44 |
| SMILES | C(=C(c1c(c(c(c(c1C)C)C)C)C)\CCCC)(c1c(c(c(c(c1C)C)C)C)C)\c1ccccc1 |
| Title of publication | A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons Using trans-Dibromoalkenes via Palladium Catalysis |
| Authors of publication | Rajendra Rathore; Mihaela I. Deselnicu; Carrie L. Burns |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 14832 - 14833 |
| a | 8.491 ± 0.0009 Å |
| b | 9.8941 ± 0.001 Å |
| c | 16.8648 ± 0.0017 Å |
| α | 98.979 ± 0.002° |
| β | 100.758 ± 0.002° |
| γ | 91.471 ± 0.002° |
| Cell volume | 1372.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1128 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2721 |
| Weighted residual factors for all reflections included in the refinement | 0.2879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4115380.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4115380.cif |
| 178924 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/53. |
4115380.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115380.cif |
| 68847 | 2012-11-21 | cif/ Adding structures of 4115380 via cif-deposit CGI script. |
4115380.cif |
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Users of the data should acknowledge the original authors of the
structural data.