Information card for entry 2215056

Structure parameters

• Common name: <i>N</i>-methylataphyllinine
• Chemical name: 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)-3,12-dihydro- 7<i>H</i>-pyrano[2,3-c]acridin-7-one
• Formula: C24 H25 N O4
• Calculated formula: C24 H25 N O4
• SMILES: Oc1c(c2OC(C=Cc2c2N(c3c(C(=O)c12)cccc3O)C)(C)C)CC=C(C)C
• Title of publication: <i>N</i>-Methylataphyllinine
• Authors of publication: Arnon Chukaew; Hoong-Kun Fun; Suchada Chantrapromma; Chanita Ponglimanont
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3723 - o3724
• a: 9.1387 ± 0.0001 Å
• b: 9.7188 ± 0.0001 Å
• c: 11.7006 ± 0.0002 Å
• α: 90.796 ± 0.001°
• β: 108.274 ± 0.001°
• γ: 100.432 ± 0.001°
• Cell volume: 967.71 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes