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Information card for entry 1567143
Preview
| Coordinates | 1567143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-6-(4-Bromobenzylidene)-4-((4-bromophenyl)ethynyl)-4-cyclopropyl-5-oxaspiro[2.4]heptan-7-one |
|---|---|
| Formula | C24 H18 Br2 O2 |
| Calculated formula | C24 H18 Br2 O2 |
| Title of publication | Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones |
| Authors of publication | Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| Journal volume | 20 |
| Journal issue | 26 |
| Pages of publication | 5325 - 5333 |
| a | 10.087 ± 0.003 Å |
| b | 24.117 ± 0.007 Å |
| c | 10.137 ± 0.003 Å |
| α | 90° |
| β | 119.385 ± 0.008° |
| γ | 90° |
| Cell volume | 2148.7 ± 1.1 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| 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 | 0.1971 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1567143.cif |
| 276065 | 2022-06-16 | cif/ Adding structures of 1567143 via cif-deposit CGI script. |
1567143.cif |
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Users of the data should acknowledge the original authors of the
structural data.