Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038386
Preview
| Coordinates | 4038386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O7 S |
|---|---|
| Calculated formula | C20 H22 O7 S |
| SMILES | S(=O)(=O)(/C=C1\c2cc(OC)c(OC)cc2c2c1c(OC)c(OC)c(c2)OC)C |
| Title of publication | CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes. |
| Authors of publication | Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 19.3636 ± 0.0003 Å |
| b | 13.1724 ± 0.0002 Å |
| c | 14.6482 ± 0.0003 Å |
| α | 90° |
| β | 96.835 ± 0.001° |
| γ | 90° |
| Cell volume | 3709.69 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252123 (current) | 2020-05-17 | cif/ Adding structures of 4038379, 4038380, 4038381, 4038382, 4038383, 4038384, 4038385, 4038386, 4038387, 4038388, 4038389, 4038390, 4038391, 4038392, 4038393 via cif-deposit CGI script. |
4038386.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.