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Information card for entry 1553553
Preview
| Coordinates | 1553553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Cl O |
|---|---|
| Calculated formula | C19 H17 Cl O |
| SMILES | Clc1ccc(cc1)C=C=C(c1ccc(OC)cc1)CC=C |
| Title of publication | Suzuki coupling for preparation of allenes ‒ ligand effects and chirality transfer |
| Authors of publication | Luo, Hongwen; Yu, Yihua; Ma, Shengming |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 1705 |
| a | 5.828 ± 0.0006 Å |
| b | 8.2327 ± 0.0008 Å |
| c | 16.8844 ± 0.0016 Å |
| α | 90° |
| β | 98.492 ± 0.003° |
| γ | 90° |
| Cell volume | 801.23 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235125 (current) | 2019-11-23 | cif/ Adding structures of 1553553 via cif-deposit CGI script. |
1553553.cif |
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