Information card for entry 1502228

Structure parameters

• Formula: C18 H25 N O2 S Si
• Calculated formula: C18 H25 N O2 S Si
• SMILES: S(=O)(=O)(N1/C(=C\[Si](C)(C)C)C(=C)C(=CC1)C)c1ccc(cc1)C
• Title of publication: Silver-catalyzed cycloisomerization of 1,n-allenynamides.
• Authors of publication: Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2952 - 2955
• a: 26.9423 ± 0.0019 Å
• b: 11.5811 ± 0.0009 Å
• c: 12.2531 ± 0.0011 Å
• α: 90°
• β: 98.789 ± 0.006°
• γ: 90°
• Cell volume: 3778.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No