Information card for entry 7207574

Structure parameters

• Common name: Dutasteride chloride hydrate ethanol solvate
• Formula: C29 H39 Cl F6 N2 O4
• Calculated formula: C29 H39 Cl F6 N2 O4
• Title of publication: Resonance-assisted amide protonation in dutasteride hydrochloride salt
• Authors of publication: Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2571
• a: 7.9357 ± 0.0007 Å
• b: 9.105 ± 0.0008 Å
• c: 11.1952 ± 0.0009 Å
• α: 73.746 ± 0.001°
• β: 88.687 ± 0.001°
• γ: 86.193 ± 0.001°
• Cell volume: 774.85 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No