Information card for entry 7151338

Structure parameters

• Formula: C22 H33 N O6
• Calculated formula: C22 H33 N O6
• SMILES: C(=O)(CC1CCC2(CC1)OOC1(C3CC4CC1CC(C3)C4)OO2)N1CCOCC1
• 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: 6.261 ± 0.0006 Å
• b: 37.479 ± 0.003 Å
• c: 8.6291 ± 0.0008 Å
• α: 90°
• β: 90.841 ± 0.002°
• γ: 90°
• Cell volume: 2024.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No