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Information card for entry 4507669
Preview
Coordinates | 4507669.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H13 N O3 |
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Calculated formula | C6 H13 N O3 |
SMILES | O1CC[NH2+]CC1.O=C([O-])C |
Title of publication | Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior |
Authors of publication | Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 965 |
a | 5.8197 ± 0.0007 Å |
b | 7.382 ± 0.0008 Å |
c | 9.6242 ± 0.0011 Å |
α | 82.784 ± 0.007° |
β | 75.451 ± 0.007° |
γ | 79.003 ± 0.007° |
Cell volume | 391.54 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4507669.html
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