Information card for entry 7155379

Structure parameters

• Chemical name: (S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one
• Formula: C27 H54 O4 Si2
• Calculated formula: C27 H54 O4 Si2
• Title of publication: Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.
• Authors of publication: Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 220 - 232
• a: 13.6989 ± 0.0005 Å
• b: 7.5129 ± 0.0002 Å
• c: 15.8965 ± 0.0005 Å
• α: 90°
• β: 103.187 ± 0.003°
• γ: 90°
• Cell volume: 1592.9 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No