Information card for entry 7006231

Structure parameters

• Formula: C19 H32 N2 S2 Si
• Calculated formula: C19 H32 N2 S2 Si
• SMILES: [S-][Si]1(SC(C)(C)C)[N+](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Synthesis and characterization of [{PhC(NBut)2}Si(S)SBut]: a silicon thioester analogue with the Si(S)‒S-skeleton
• Authors of publication: So, Cheuk-Wai; Roesky, Herbert W.; Oswald, Rainer B.; Pal, Aritra; Jones, Peter G.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5241
• a: 11.535 ± 0.003 Å
• b: 14.525 ± 0.003 Å
• c: 13.464 ± 0.003 Å
• α: 90°
• β: 108.28 ± 0.01°
• γ: 90°
• Cell volume: 2142 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No