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Information card for entry 1505925
Preview
| Coordinates | 1505925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C29 H23 Cl3 |
|---|---|
| Calculated formula | C29 H23 Cl3 |
| SMILES | c1(c2ccccc2c(c2ccccc12)c1c(cccc1)C)c1c(cccc1)C.ClC(Cl)Cl |
| Title of publication | Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction. |
| Authors of publication | Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 1491 - 1494 |
| a | 18.1743 ± 0.0016 Å |
| b | 14.9401 ± 0.0013 Å |
| c | 17.2589 ± 0.0015 Å |
| α | 90° |
| β | 95.7046 ± 0.0012° |
| γ | 90° |
| Cell volume | 4663 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505925.cif |
| 201954 | 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. |
1505925.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. |
1505925.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505925.cif |
| 47857 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505923, 1505924, 1505925 via cif-deposit CGI script. |
1505925.cif |
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Users of the data should acknowledge the original authors of the
structural data.