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Information card for entry 7154662
Preview
| Coordinates | 7154662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H32 O4 |
|---|---|
| Calculated formula | C34 H32 O4 |
| SMILES | C1(=C([C@H]2[C@@H]([C@@H]([C@@]1(C2)c1ccc(cc1)C)C(=O)OC)C(=O)OC)c1ccc(cc1)C)C#Cc1ccc(cc1)C.C1(=C([C@@H]2[C@H]([C@H]([C@]1(C2)c1ccc(cc1)C)C(=O)OC)C(=O)OC)c1ccc(cc1)C)C#Cc1ccc(cc1)C |
| Title of publication | Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes. |
| Authors of publication | Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 39 |
| Pages of publication | 10060 - 10071 |
| a | 10.0941 ± 0.0005 Å |
| b | 12.7419 ± 0.0005 Å |
| c | 13.2345 ± 0.0008 Å |
| α | 117.981 ± 0.005° |
| β | 94.366 ± 0.005° |
| γ | 104.498 ± 0.004° |
| Cell volume | 1417.55 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1435 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154662.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7154662.cif |
| 162173 | 2015-10-09 | cif/ Updating files of 7154658, 7154659, 7154660, 7154661, 7154662 Original log message: Adding full bibliography for 7154658--7154662.cif. |
7154662.cif |
| 153607 | 2015-08-22 | cif/ Adding structures of 7154658, 7154659, 7154660, 7154661, 7154662 via cif-deposit CGI script. |
7154662.cif |
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Users of the data should acknowledge the original authors of the
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