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Information card for entry 1520513
Preview
| Coordinates | 1520513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 |
|---|---|
| Calculated formula | C24 H24 |
| SMILES | CC1(c2ccc(c3ccc(c4ccccc4)cc3)cc2CCC1)C |
| Title of publication | Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones. |
| Authors of publication | Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 3142 - 3145 |
| a | 7.4014 ± 0.0009 Å |
| b | 30.606 ± 0.004 Å |
| c | 7.739 ± 0.001 Å |
| α | 90° |
| β | 100.806 ± 0.003° |
| γ | 90° |
| Cell volume | 1722 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520513.cif |
| 140267 | 2015-07-05 | cif/ Updating files of 1520513, 1520514, 1520515, 1520516, 1520517 Original log message: Adding full bibliography for 1520513--1520517.cif. |
1520513.cif |
| 139105 | 2015-06-12 | cif/ Adding structures of 1520513 via cif-deposit CGI script. |
1520513.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.