Information card for entry 1502381

Structure parameters

• Formula: C27 H51 N O3 Si
• Calculated formula: C27 H51 N O3 Si
• SMILES: [Si](O[C@H]1C[C@H](N2[C@H](CC[C@@]32CCCC[C@@H]13)COC(=O)C)CCCCCC)(C)(C)C(C)(C)C.[Si](O[C@@H]1C[C@@H](N2[C@@H](CC[C@]32CCCC[C@H]13)COC(=O)C)CCCCCC)(C)(C)C(C)(C)C
• Title of publication: Total synthesis of (±)-cylindricine C.
• Authors of publication: Lapointe, Guillaume; Schenk, Kurt; Renaud, Philippe
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4774 - 4777
• a: 10.2256 ± 0.0012 Å
• b: 10.8683 ± 0.0013 Å
• c: 15.1033 ± 0.0018 Å
• α: 92.681 ± 0.01°
• β: 108.486 ± 0.009°
• γ: 110.798 ± 0.009°
• Cell volume: 1463.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.103
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No