Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006118
Preview
Coordinates | 7006118.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Chisholm 1368 |
---|---|
Formula | C40 H38 B N2 Na O12 |
Calculated formula | C40 H38 B N2 Na O12 |
SMILES | [Na]12([O]=C5OCC(=[O][Na]34([N]#CC)[N]#CC)OCC(=[O]1)OCC(=[O]3)OCC(=[O]2)OCC(=[O]4)OC5)([N]#CC)[N]#CC.O=C1OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 18-membered cyclic esters derived from glycolide and lactide: preparations, structures and coordination to sodium ions. |
Authors of publication | Chisholm, Malcolm H.; Gallucci, Judith C.; Yin, Hongfeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 42 |
Pages of publication | 4811 - 4821 |
a | 12.9205 ± 0.001 Å |
b | 13.4728 ± 0.001 Å |
c | 13.977 ± 0.002 Å |
α | 80.972 ± 0.004° |
β | 64.021 ± 0.004° |
γ | 63.137 ± 0.005° |
Cell volume | 1948.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0805 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation probe | x-ray |
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/7006118.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.