Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519305
Preview
Coordinates | 1519305.cif |
---|
Formula | C27 H36 N2 O6 Si |
---|---|
Calculated formula | C27 H36 N2 O6 Si |
SMILES | c1(ccc(cc1)[C@H]1CC2(C[C@@H](c3ccc(cc3)N(=O)=O)OC2O1)[Si](C(C)C)(C(C)C)C(C)C)N(=O)=O |
Title of publication | ((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane |
Authors of publication | Hursthouse, Michael B.; Light, Mark E. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 124 |
a | 11.4829 ± 0.0003 Å |
b | 14.5419 ± 0.0003 Å |
c | 15.7595 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2631.57 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0363 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1519305.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.