Information card for entry 2206200

Structure parameters

• Common name: 12-chloro-2,10-dibenzyloxy-3,9-dimethoxytetrahydroprotoberberine
• Chemical name: 2,10-dibenzyloxy-12-chloro-3,9-dimethoxy-5,8,13,13a- tetrahydro-6H-dibenzo[a,g]quinolizine
• Formula: C33 H32 Cl N O4
• Calculated formula: C33 H32 Cl N O4
• SMILES: Clc1cc(OCc2ccccc2)c(OC)c2CN3CCc4cc(OC)c(OCc5ccccc5)cc4C3Cc12
• Title of publication: Racemic 2,10-dibenzyloxy-12-chloro-3,9-dimethoxy-5,8,13,13a-tetrahydro-6<i>H</i>-dibenzo[<i>a,g</i>]quinolizine
• Authors of publication: Ding, Yu; Yao, Guang-Min; Chen, Yi-Lang; Yang, Yu-She
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2020 - o2021
• a: 20.4833 ± 0.0018 Å
• b: 21.6089 ± 0.0018 Å
• c: 16.0523 ± 0.0014 Å
• α: 90°
• β: 126.549 ± 0.002°
• γ: 90°
• Cell volume: 5707.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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 all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes