Information card for entry 4519344

Structure parameters

• Formula: C13 H16 Cl N O2
• Calculated formula: C13 H16 Cl N O2
• SMILES: Clc1ccccc1[C@@]1(N)C(=O)[C@H](O)[C@@H](CC1)C
• Title of publication: Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2<i>,</i>6)- and (5<i>R</i>)-Methyl-(2<i>R,</i>6<i>R</i>)-hydroxynorketamines.
• Authors of publication: Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D.
• Journal of publication: ACS chemical neuroscience
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 510 - 523
• a: 6.5842 ± 0.0009 Å
• b: 11.023 ± 0.0014 Å
• c: 8.603 ± 0.0012 Å
• α: 90°
• β: 101.266 ± 0.004°
• γ: 90°
• Cell volume: 612.35 ± 0.14 ų
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No