Information card for entry 1559129

Structure parameters

• Common name: 5-Methoxyaristololactam I
• Chemical name: 8,11-dimethoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
• Formula: C18 H13 N O5
• Calculated formula: C18 H13 N O5
• SMILES: O1c2c3c4c(NC(=O)c4cc2OC1)cc1c3c(OC)ccc1OC
• Title of publication: Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells
• Authors of publication: Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 10.618 ± 0.003 Å
• b: 12.162 ± 0.004 Å
• c: 13.204 ± 0.004 Å
• α: 94.952 ± 0.005°
• β: 110.78 ± 0.004°
• γ: 115.495 ± 0.004°
• Cell volume: 1380 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.167
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No