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Information card for entry 1507209
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Coordinates | 1507209.cif |
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Original paper (by DOI) | HTML |
Common name | (3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate |
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Chemical name | (3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate |
Formula | C17 H23 N O4 |
Calculated formula | C17 H23 N O4 |
SMILES | [NH3+]C12CC3CC(C1)CC(C2)C3.Oc1c(cc(O)cc1)C(=O)[O-] |
Title of publication | Protic pharmaceutical ionic liquids and solids: Aspects of protonics |
Authors of publication | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. |
Journal of publication | Faraday Discussions |
Year of publication | 2012 |
Journal volume | 154 |
Pages of publication | 335 |
a | 12.157 ± 0.003 Å |
b | 6.9992 ± 0.0017 Å |
c | 17.778 ± 0.004 Å |
α | 90° |
β | 92.728 ± 0.014° |
γ | 90° |
Cell volume | 1511 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1465 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.153 |
Weighted residual factors for all reflections included in the refinement | 0.1864 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
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/1507209.html
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