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Information card for entry 4072102
Preview
| Coordinates | 4072102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 O4 |
|---|---|
| Calculated formula | C25 H24 O4 |
| SMILES | O(C)C(=O)C1(C(=O)OC)[C@H]2CCC=C[C@H]3c4ccc5ccccc5c4C=C([C@@H]23)C1.O(C)C(=O)C1(C(=O)OC)[C@@H]2CCC=C[C@@H]3c4ccc5ccccc5c4C=C([C@H]23)C1 |
| Title of publication | Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes |
| Authors of publication | Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5326 |
| a | 14.7813 ± 0.0007 Å |
| b | 7.3153 ± 0.0003 Å |
| c | 17.9908 ± 0.0012 Å |
| α | 90° |
| β | 93.613 ± 0.002° |
| γ | 90° |
| Cell volume | 1941.47 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.166 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.2439 |
| 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 |
|---|---|---|---|
| 178610 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21. |
4072102.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072102.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072102.cif |
| 44237 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072102 via cif-deposit CGI script. |
4072102.cif |
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Users of the data should acknowledge the original authors of the
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