Information card for entry 2203245

Structure parameters

• Formula: C27 H26 Cl N3 O4
• Calculated formula: C27 H26 Cl N3 O4
• SMILES: [Cl-].O(c1cc2[n+](cc3c(n[nH]c3c2c(OC)c1)c1ccccc1)Cc1ccccc1)C.O=C(O)C
• Title of publication: 5-Benzyl-7,9-dimethoxy-3-phenyl-5<i>H</i>-pyrazolo[4,3-<i>c</i>]quinolin-1-ium chloride acetic acid solvate
• Authors of publication: Baumer, Vyacheslav N.; Silin, Olexiy V.; Savchenko, Timur I.; Nikitchenko, Viktor M.; Kovalenko, Sergiy M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o294 - o296
• a: 21.224 ± 0.007 Å
• b: 15.83 ± 0.004 Å
• c: 15.55 ± 0.005 Å
• α: 90°
• β: 109.42 ± 0.03°
• γ: 90°
• Cell volume: 4927 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes