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Information card for entry 7205278
Preview
Coordinates | 7205278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 N5 O12 |
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Calculated formula | C24 H25 N5 O12 |
SMILES | C(COc1ccc(cc1)N(=O)=O)[NH+](CCOc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O.N(=O)(=O)[O-] |
Title of publication | A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand |
Authors of publication | Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 269 |
a | 15.2304 ± 0.0007 Å |
b | 8.9608 ± 0.0004 Å |
c | 20.056 ± 0.001 Å |
α | 90° |
β | 101.073 ± 0.003° |
γ | 90° |
Cell volume | 2686.2 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.277 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7205278.html
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