Information card for entry 7152001

Structure parameters

• Formula: C32 H23 F17 Ge
• Calculated formula: C31.997 H23 F16.991 Ge
• Title of publication: Synthesis of the C19 methyl ether of aspercyclide A via germyl-Stille macrocyclisation and ELISA evaluation of both enantiomers following optical resolution.
• Authors of publication: Carr, James L.; Sejberg, Jimmy J. P.; Saab, Fabienne; Holdom, Mary D.; Davies, Anna M.; White, Andrew J. P.; Leatherbarrow, Robin J.; Beavil, Andrew J.; Sutton, Brian J.; Lindell, Stephen D.; Spivey, Alan C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 6814 - 6824
• a: 6.09459 ± 0.00014 Å
• b: 7.56496 ± 0.00017 Å
• c: 33.7307 ± 0.0008 Å
• α: 84.8926 ± 0.0019°
• β: 87.4794 ± 0.0019°
• γ: 88.9974 ± 0.0018°
• Cell volume: 1547.35 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No