Information card for entry 7213730

Structure parameters

• Common name: Hup A Form S4
• Formula: C18 H25 N2 O
• Calculated formula: C18 H25 N2 O
• Title of publication: Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation
• Authors of publication: Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1919
• a: 8.0666 ± 0.0006 Å
• b: 16.294 ± 0.0012 Å
• c: 12.7096 ± 0.001 Å
• α: 90°
• β: 94.054 ± 0.004°
• γ: 90°
• Cell volume: 1666.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No