Information card for entry 7151337

Structure parameters

• Formula: C18 H29 N O6
• Calculated formula: C18 H29 N O6
• SMILES: C1CN(CCO1)C(=O)CC1CCC2(CC1)OOC1(CCCCC1)OO2
• Title of publication: Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.
• Authors of publication: Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 4431 - 4436
• a: 5.9604 ± 0.0012 Å
• b: 8.5899 ± 0.0017 Å
• c: 17.36 ± 0.003 Å
• α: 92.596 ± 0.004°
• β: 95.039 ± 0.004°
• γ: 99.803 ± 0.004°
• Cell volume: 870.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No