Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225125
Preview
| Coordinates | 7225125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 O2 |
|---|---|
| Calculated formula | C21 H18 O2 |
| SMILES | O(c1ccc(C2c3c(cccc3)c3c2cccc3)c(OC)c1)C |
| Title of publication | Lewis Acid-Catalyzed Tandem Synthesis of 9-Sulfonylamino- and 9-Arylfluorenes |
| Authors of publication | Huang, Dayun; Yang, Weiguang; Zhang, Jianlan; Wang, Xuesong; Wang, Xinyan; Hu, Yuefei |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.967 ± 0.003 Å |
| b | 6.4874 ± 0.0012 Å |
| c | 16.903 ± 0.003 Å |
| α | 90° |
| β | 104.548 ± 0.004° |
| γ | 90° |
| Cell volume | 1588.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182590 (current) | 2016-05-05 | cif/ Adding structures of 7225125 via cif-deposit CGI script. |
7225125.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.