Information card for entry 7213732

Structure parameters

• Common name: Hup A Form S2
• Formula: C19 H26 N2 O2
• Calculated formula: C19 H26 N2 O2
• SMILES: [nH]1c2C[C@@H]3/C(=C\C)[C@](N)(c2ccc1=O)CC(=C3)C.O=C(C)CC
• 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: 19.9216 ± 0.0004 Å
• b: 7.4733 ± 0.0001 Å
• c: 15.2146 ± 0.0003 Å
• α: 90°
• β: 130.274 ± 0.001°
• γ: 90°
• Cell volume: 1728.22 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No