Information card for entry 2209307

Structure parameters

• Common name: 8-Acetonyldihydronitidine
• Chemical name: (<i>RS</i>)-13-acetonyl-2,3-dimethoxy-12-methyl-12,13-dihydro- 1,3-benzodioxolo[5,6-c]phenanthridine
• Formula: C24 H23 N O5
• Calculated formula: C24 H23 N O5
• SMILES: O1c2c(OC1)cc1ccc3c4cc(OC)c(OC)cc4C(N(c3c1c2)C)CC(=O)C
• Title of publication: 8-Acetonyldihydronitidine
• Authors of publication: Xiao-Ling Wang; Kai-Bei Yu; Qi-Fa Li; Shu-Lin Peng; Li-Sheng Ding
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2247 - o2248
• a: 11.037 ± 0.003 Å
• b: 9.56 ± 0.003 Å
• c: 19.64 ± 0.005 Å
• α: 90°
• β: 93.54 ± 0.02°
• γ: 90°
• Cell volume: 2068.3 ± 1 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes