Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239750
Preview
| Coordinates | 7239750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H58 O4 Si2 |
|---|---|
| Calculated formula | C40 H58 O4 Si2 |
| Title of publication | Thermal [2 + 2]-cycloaddition between silylalkynes and allenylphenols followed by the nucleophilic addition of water: metal-free and economical synthesis of arylcyclobutenals |
| Authors of publication | Ohno, Shohei; Avena, Ramon Francisco; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 4 |
| Pages of publication | 1220 - 1228 |
| a | 10.51 ± 0.003 Å |
| b | 11.377 ± 0.003 Å |
| c | 32.058 ± 0.009 Å |
| α | 90° |
| β | 93.828 ± 0.007° |
| γ | 90° |
| Cell volume | 3824.7 ± 1.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1053 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.2056 |
| Weighted residual factors for all reflections included in the refinement | 0.2602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296814 (current) | 2024-12-10 | Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to '_diffrn_reflns_point_group_measured_fraction_full' in multiple entries. |
7239750.cif |
| 257586 | 2020-10-06 | cif/ Updating files of 7239750 Original log message: Adding full bibliography for 7239750.cif. |
7239750.cif |
| 248990 | 2020-03-05 | cif/ Updating files of 7239750 Original log message: Adding full bibliography for 7239750.cif. |
7239750.cif |
| 246797 | 2020-01-14 | cif/ Adding structures of 7239750 via cif-deposit CGI script. |
7239750.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.