Information card for entry 1540727

Structure parameters

• Common name: Larutienine B
• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: [C@@]123CCN4CCC[C@]5(C[C@H](N3c3c(C1=O)cccc3)O[C@@H]5C)[C@H]24
• 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: 14.2796 ± 0.0004 Å
• b: 7.9986 ± 0.0002 Å
• c: 15.778 ± 0.0005 Å
• α: 90°
• β: 116.781 ± 0.002°
• γ: 90°
• Cell volume: 1608.81 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No