Information card for entry 1552682

Structure parameters

• Common name: Arbophyllidine
• Formula: C19 H20 N2
• Calculated formula: C19 H20 N2
• SMILES: c12c(C[C@@H]3[C@]4(CCN3CC\4=C\C)C1=C)c1ccccc1[nH]2
• 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: 6.5325 ± 0.0003 Å
• b: 7.8576 ± 0.0005 Å
• c: 8.6225 ± 0.0005 Å
• α: 109.428 ± 0.006°
• β: 94.781 ± 0.004°
• γ: 113.321 ± 0.005°
• Cell volume: 371.29 ± 0.05 ų
• Cell temperature: 100.2 ± 0.9 K
• Ambient diffraction temperature: 100.2 ± 0.9 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No