Information card for entry 1507471

Structure parameters

• Formula: C20 H32 F N O2 S Si
• Calculated formula: C20 H32 F N O2 S Si
• SMILES: S(=O)(=O)(NCC(=C=CF)[Si](C(C)C)(C(C)C)C(C)C)c1ccc(cc1)C
• Title of publication: Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes
• Authors of publication: Lan, Yunfeng; Hammond, Gerald B.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 2437
• a: 8.43 ± 0.0001 Å
• b: 28.3483 ± 0.0004 Å
• c: 10.035 ± 0.0002 Å
• α: 90°
• β: 101.904 ± 0.0009°
• γ: 90°
• Cell volume: 2346.56 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No