Information card for entry 4026218

Structure parameters

• Formula: C23 H35 N O6 Si
• Calculated formula: C23 H35 N O6 Si
• SMILES: C12(CC3=C(C(=O)C=C4C3(CCC(=O)N4CCCO[Si](C)(C)C(C)(C)C)C1)O)OCCO2
• Title of publication: An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine
• Authors of publication: Jutatip Boonsompat; Albert Padwa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2753 - 2761
• a: 8.4494 ± 0.0003 Å
• b: 12.0453 ± 0.0005 Å
• c: 14.0749 ± 0.0008 Å
• α: 114.534 ± 0.003°
• β: 90.775 ± 0.003°
• γ: 109.493 ± 0.002°
• Cell volume: 1208.98 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No