Information card for entry 1553297

Structure parameters

• Common name: PC-3
• Formula: C37 H26 N2 O7
• Calculated formula: C37 H26 N2 O7
• SMILES: C1(=O)N2CCc3cc4c(c5c3c2c(c2c5ccc(c2)OC)c2c3c5c(CCN13)cc1c(c5c3ccc(cc23)OC)OCO1)OCO4
• Title of publication: Cerasoidine, a Bis-aporphine Alkaloid Isolated from Polyalthia cerasoides during Screening for Wnt Signal Inhibitors.
• Authors of publication: Shono, Takumi; Ishikawa, Naoki; Toume, Kazufumi; Arai, Midori A.; Masu, Hyuma; Koyano, Takashi; Kowithayakorn, Thaworn; Ishibashi, Masami
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 2083 - 2088
• a: 8.2263 ± 0.0002 Å
• b: 19.2406 ± 0.0005 Å
• c: 16.9322 ± 0.0005 Å
• α: 90°
• β: 93.261 ± 0.002°
• γ: 90°
• Cell volume: 2675.67 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No