Information card for entry 1540729

Structure parameters

• Common name: Paucidirinine
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: [C@@]123[C@]4(CCN5C(=O)C[C@](C[C@H]1C(=O)OC)(CC2)[C@@H]45)c1ccccc1N3.CO
• 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: 6.7581 ± 0.0002 Å
• b: 11.4548 ± 0.0003 Å
• c: 23.3157 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1804.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No