Information card for entry 2107992

Structure parameters

• Formula: C13 H19 Cl N2 O2
• Calculated formula: C13 H19 Cl N2 O2
• Title of publication: The orthorhombic pseudopolymorph of tacrine hydrochloride
• Authors of publication: Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 771 - 774
• a: 17.8252 ± 0.0007 Å
• b: 7.2708 ± 0.0002 Å
• c: 20.6396 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.96 ± 0.16 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No