Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312161
Preview
| Coordinates | 2312161.cif |
|---|---|
| Structure factors | 2312161.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl (<i>R</i>)-3-{(1<i>R</i>,4<i>S</i>)-6-methoxy-4,7-dimethyl-5,8-bis[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}butanoate |
|---|---|
| Formula | C36 H66 O5 Si2 |
| Calculated formula | C36 H66 O5 Si2 |
| Title of publication | Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A. |
| Authors of publication | Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 177 - 181 |
| a | 13.2385 ± 0.0002 Å |
| b | 14.5713 ± 0.0003 Å |
| c | 20.3505 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3925.66 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285620 (current) | 2023-08-11 | cif/ hkl/ Adding structures of 2312161, 2312162 via cif-deposit CGI script. |
2312161.cif 2312161.hkl |
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.