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Information card for entry 7201415
Preview
Coordinates | 7201415.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H34 N6 O8 |
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Calculated formula | C48 H34 N6 O8 |
SMILES | c1cc(N2C(=O)c3c4c(C2=O)ccc2C(=O)N(c5c(C(=O)O)cccc5)C(=O)c(c42)cc3)c(C(=O)O)cc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1 |
Title of publication | Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline |
Authors of publication | Singh, Devendra; Baruah, Jubaraj B. |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 2688 |
a | 8.7635 ± 0.0006 Å |
b | 11.8723 ± 0.0009 Å |
c | 12.1962 ± 0.0014 Å |
α | 116.061 ± 0.006° |
β | 95.775 ± 0.006° |
γ | 107.994 ± 0.004° |
Cell volume | 1041.85 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0855 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1627 |
Weighted residual factors for all reflections included in the refinement | 0.1837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7201415.html
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