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Information card for entry 1547668
Preview
| Coordinates | 1547668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H22 O2 |
|---|---|
| Calculated formula | C18 H22 O2 |
| SMILES | c1(c(c(cc(c1c1c(c(c(cc1C)C)C)O)C)C)C)O |
| Title of publication | Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles. |
| Authors of publication | Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 20 |
| Pages of publication | 5505 - 5508 |
| a | 16.2248 ± 0.0016 Å |
| b | 21.607 ± 0.002 Å |
| c | 8.7927 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3082.5 ± 0.5 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547668.cif |
| 202830 | 2017-11-07 | cif/ Updating files of 1547668 Original log message: Adding full bibliography for 1547668.cif. |
1547668.cif |
| 201956 | 2017-10-13 | cif/ Adding structures of 1547668 via cif-deposit CGI script. |
1547668.cif |
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Users of the data should acknowledge the original authors of the
structural data.