Information card for entry 1553363

Structure parameters

• Common name: Angustilongine A
• Formula: C45 H56 Cl6 N4 O5
• Calculated formula: C45 H56 Cl6 N4 O5
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.O1[C@H](O)[C@H]([C@@H]2C[C@@H]3N([C@@H](Cc4c3n(C)c3c4cccc3)[C@@H]2C1)C)[C@@H](c1cc2c(N([C@H]3[C@H]4N5CC[C@@]23[C@H](C(=O)OC)[C@H](C(=C\C)/C5)C4)C)cc1OC)C
• Title of publication: Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.
• Authors of publication: Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1266 - 1277
• a: 9.4917 ± 0.0006 Å
• b: 12.8453 ± 0.0009 Å
• c: 18.5275 ± 0.001 Å
• α: 90°
• β: 99.113 ± 0.006°
• γ: 90°
• Cell volume: 2230.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No