Information card for entry 1555477

Structure parameters

• Formula: C18 H34 O S4 Si
• Calculated formula: C18 H34 O S4 Si
• SMILES: C=CCC1([C@@H]([C@H](C2(C)SCCCS2)O[Si](C)(C)C)C)SCCCS1.C=CCC1([C@H]([C@@H](C2(C)SCCCS2)O[Si](C)(C)C)C)SCCCS1
• Title of publication: An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.
• Authors of publication: Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6242 - 6245
• a: 9.7683 ± 0.0006 Å
• b: 10.4783 ± 0.0007 Å
• c: 12.5293 ± 0.0008 Å
• α: 102.548 ± 0.003°
• β: 99.034 ± 0.002°
• γ: 115.038 ± 0.002°
• Cell volume: 1088.3 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No