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Information card for entry 4508984
Preview
Coordinates | 4508984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 N O5 |
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Calculated formula | C16 H23 N O5 |
SMILES | [NH3+]CC1(CCCCC1)CC(=O)O.O=C([O-])c1ccc(O)cc1 |
Title of publication | Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility |
Authors of publication | Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 378 |
a | 6.0648 ± 0.0004 Å |
b | 11.0825 ± 0.0008 Å |
c | 12.5727 ± 0.0009 Å |
α | 66.355 ± 0.001° |
β | 83.402 ± 0.001° |
γ | 85.714 ± 0.001° |
Cell volume | 768.6 ± 0.09 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 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 | 0.0418 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Weighted residual factors for all reflections included in the refinement | 0.0969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4508984.html
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Users of the data should acknowledge the original authors of the
structural data.