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Information card for entry 7038560
Preview
Coordinates | 7038560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 N2 O9 |
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Calculated formula | C14 H18 N2 O9 |
SMILES | O1c2c(OCCOCCOCCOCC1)cc(N(=O)=O)c(N(=O)=O)c2 |
Title of publication | Ion pair complexes and anion binding in the solution of a ditopic receptor. |
Authors of publication | Mäkelä, T; Rissanen, K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6481 - 6490 |
a | 11.6177 ± 0.0004 Å |
b | 8.5331 ± 0.0003 Å |
c | 17.2925 ± 0.0006 Å |
α | 90° |
β | 109.559 ± 0.002° |
γ | 90° |
Cell volume | 1615.37 ± 0.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7038560.html
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