Information card for entry 2240591

Structure parameters

• Chemical name: Anagyrine perchlorate
• Formula: C15 H21 Cl N2 O5
• Calculated formula: C15 H21 Cl N2 O5
• SMILES: O=c1n2c(ccc1)[C@@H]1C[C@H](C2)[C@@H]2[NH+](CCCC2)C1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Crystal structure of anagyrine perchlorate
• Authors of publication: Turgunov, Kambarali K.; Rakhimov, Shukhrat B.; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o343 - o344
• a: 7.355 ± 0.0003 Å
• b: 32.982 ± 0.001 Å
• c: 12.8849 ± 0.0004 Å
• α: 90°
• β: 90.709 ± 0.003°
• γ: 90°
• Cell volume: 3125.41 ± 0.19 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes