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Information card for entry 1547043
Preview
Coordinates | 1547043.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H15 Cl2 N O2 |
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Calculated formula | C12 H15 Cl2 N O2 |
SMILES | Clc1c([C@]2([NH3+])C(=O)[C@@H](O)CCC2)cccc1.[Cl-] |
Title of publication | Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites. |
Authors of publication | Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4572 - 4575 |
a | 7.3612 ± 0.0009 Å |
b | 7.4951 ± 0.0009 Å |
c | 11.3569 ± 0.0013 Å |
α | 90° |
β | 96.832 ± 0.003° |
γ | 90° |
Cell volume | 622.14 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0209 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.0509 |
Weighted residual factors for all reflections included in the refinement | 0.0515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547043.html
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