Information card for entry 1503828

Structure parameters

• Common name: 04320
• Formula: C25 H44 O4 Si
• Calculated formula: C25 H44 O4 Si
• SMILES: [Si](O[C@@H]1[C@@H](O)[C@H]2C(=O)[C@@]3([C@@H](C[C@H]2O[C@]1(CCC=C(CC3)C)C)C)C)(CC)(CC)CC.[Si](O[C@H]1[C@H](O)[C@@H]2C(=O)[C@]3([C@H](C[C@@H]2O[C@@]1(CCC=C(CC3)C)C)C)C)(CC)(CC)CC
• Title of publication: Total synthesis of phomactin A.
• Authors of publication: Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1591 - 1594
• a: 9.4004 ± 0.0007 Å
• b: 10.2614 ± 0.0008 Å
• c: 13.271 ± 0.001 Å
• α: 101.813 ± 0.001°
• β: 93.644 ± 0.001°
• γ: 94.256 ± 0.001°
• Cell volume: 1245.5 ± 0.16 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: 0.0503
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No