Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7213432
Preview
Coordinates | 7213432.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H30 O5 Si |
---|---|
Calculated formula | C21 H30 O5 Si |
SMILES | [Si](O[C@H]1CC2=C3[C@@H]([C@@]4(C(=O)OC(=O)[C@@H]4[C@@H]2C1)C)CCC3=O)(C)(C)C(C)(C)C |
Title of publication | Chemoenzymatic approaches to the decahydro-as-indacene cores associated with the spinosyn class of insecticide |
Authors of publication | Banwell, Martin; Hockless, David; Jarrott, Bevyn; Kelly, Brian; Knill, Andrew; Longmore, Robert; Simpson, Gregory |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2000 |
Journal issue | 21 |
Pages of publication | 3555 |
a | 6.423 ± 0.003 Å |
b | 11.868 ± 0.003 Å |
c | 14.006 ± 0.003 Å |
α | 90° |
β | 93.3 ± 0.03° |
γ | 90° |
Cell volume | 1065.9 ± 0.6 Å3 |
Cell temperature | 173.2 K |
Ambient diffraction temperature | 173.2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0973 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for all reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0501 |
Goodness-of-fit parameter for all reflections | 1.964 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.227 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7213432.html
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.