Information card for entry 2242135

Structure parameters

• Common name: naltrexone chloride i-propanol solvate
• Chemical name: 17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride propan-2-ol monosolvate
• Formula: C23 H32 Cl N O5
• Calculated formula: C23 H32 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: 8.0297 ± 0.001 Å
• b: 15.5449 ± 0.0017 Å
• c: 17.56 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2191.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes