Information card for entry 2005052

Structure parameters

• Common name: Boldine hydrochloride
• Chemical name: [6a-(S)-1,10-dimethoxy-2-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,
• Formula: C19 H22 Cl N O4
• Calculated formula: C19 H22 Cl N O4
• Title of publication: (<i>S</i>)-1,10-Dimethoxy-2,9-dihydroxyaporphinium Chloride (Boldine Hydrochloride), C~19~H~22~NO~4~^+^.Cl^{-^}
• Authors of publication: Asencio, M.; Cassels, B. K.; Manríquez, V.; Boys, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1581 - 1583
• a: 7.556 ± 0.002 Å
• b: 11.587 ± 0.002 Å
• c: 20.255 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.4 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0466
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No