Information card for entry 1552683

Structure parameters

• Common name: Arbophyllinine A
• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: O1[C@]2([C@@H](O)C)CN3CCc4c([nH]c5c4cccc5)[C@@H]3C[C@@H]2C(=O)C1
• Title of publication: A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.
• Authors of publication: Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 1902 - 1907
• a: 10.1058 ± 0.0004 Å
• b: 5.4876 ± 0.0002 Å
• c: 14.6707 ± 0.0005 Å
• α: 90°
• β: 91.494 ± 0.003°
• γ: 90°
• Cell volume: 813.31 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No