Information card for entry 1512271

Structure parameters

• Formula: C19 H35 I O4 Si
• Calculated formula: C19 H35 I O4 Si
• Title of publication: Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.
• Authors of publication: Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1514 - 1518
• a: 9.5122 ± 0.0002 Å
• b: 15.1148 ± 0.0002 Å
• c: 16.0879 ± 0.0003 Å
• α: 90°
• β: 90.1171 ± 0.0009°
• γ: 90°
• Cell volume: 2313.03 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No