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Information card for entry 7103917
Preview
Coordinates | 7103917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H46 N4 O18 S4 |
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Calculated formula | C58 H46 N4 O18 S4 |
SMILES | c1(ccc2C(=O)c3ccc(S(=O)(=O)[O-])cc3C(=O)c2c1)S(=O)(=O)[O-].[n+]1(ccc(c2cc[n+](cc2)C)cc1)C.[n+]1(ccc(cc1)c1cc[n+](cc1)C)C.Oc1ccc(O)cc1.c1(ccc2C(=O)c3ccc(S(=O)(=O)[O-])cc3C(=O)c2c1)S(=O)(=O)[O-] |
Title of publication | Unique crystal structures of donor‒acceptor complexes: crossed arrangement of two charge-transfer columns |
Authors of publication | Kidowaki, Masatoshi; Tamaoki, Nobuyuki |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
Journal issue | 2 |
Pages of publication | 290 - 291 |
a | 6.866 ± 0.001 Å |
b | 10.475 ± 0.002 Å |
c | 18.808 ± 0.004 Å |
α | 75.84 ± 0.01° |
β | 84.34 ± 0.01° |
γ | 86.28 ± 0.01° |
Cell volume | 1304.2 ± 0.5 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.1742 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.238 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Duplicate of | 7113530 |
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/7103917.html
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