Information card for entry 1540728

Structure parameters

• Common name: Paucidactinine
• Formula: C23 H24 N2 O7
• Calculated formula: C23 H24 N2 O7
• SMILES: [C@@]123[C@]4([C@@H]5CN6CCC[C@](C[C@]1(OC5=O)O)(CC2)[C@@H]46)c1ccc2c(c1N3C(=O)OC)OCO2
• Title of publication: Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.
• Authors of publication: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 230 - 239
• a: 9.9492 ± 0.0005 Å
• b: 8.2037 ± 0.0004 Å
• c: 13.0494 ± 0.0007 Å
• α: 90°
• β: 109.845 ± 0.003°
• γ: 90°
• Cell volume: 1001.84 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No