Information card for entry 2242134

Structure parameters

• Common name: Naltrexone chloride ethanol solvate
• Chemical name: 17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride ethanol monosolvate
• Formula: C22 H30 Cl N O5
• Calculated formula: C22 H30 Cl N O5
• Title of publication: Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol
• Authors of publication: Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 1013 - 1020
• a: 8.6885 ± 0.0007 Å
• b: 7.9478 ± 0.0006 Å
• c: 15.3417 ± 0.001 Å
• α: 90°
• β: 103.908 ± 0.002°
• γ: 90°
• Cell volume: 1028.35 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0531
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes