Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7105121
Preview
Coordinates | 7105121.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 O7 |
---|---|
Calculated formula | C19 H22 O7 |
SMILES | O1[C@]23[C@]4(CC[C@H](C(=O)C4)C2)[C@@]2([C@H]1C(OC)(OC)CC(=C)C2=O)COC3=O.O1[C@@]23[C@@]4(CC[C@@H](C(=O)C4)C2)[C@]2([C@@H]1C(OC)(OC)CC(=C)C2=O)COC3=O |
Title of publication | Synthesis of functionalized maoecrystal V core structures. |
Authors of publication | Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 70 - 72 |
a | 13.838 ± 0.003 Å |
b | 7.0826 ± 0.0014 Å |
c | 17.443 ± 0.004 Å |
α | 90° |
β | 108.23 ± 0.03° |
γ | 90° |
Cell volume | 1623.7 ± 0.6 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0456 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
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/7105121.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.