Information card for entry 4101820

Structure parameters

• Formula: C44 H56 Cl2 N4 Si2
• Calculated formula: C44 H56 Cl2 N4 Si2
• SMILES: [Si]12([Si]3(Cl)([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)C(=C2c2ccccc2)c2ccccc2)(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: High Yield Access to Silylene RSiCl (R = PhC(NtBu)2) and Its Reactivity toward Alkyne: Synthesis of Stable Disilacyclobutene
• Authors of publication: Sakya S. Sen; Herbert W. Roesky; Daniel Stern; Julian Henn; Dietmar Stalke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1123 - 1126
• a: 13.183 ± 0.0004 Å
• b: 13.2275 ± 0.0004 Å
• c: 24.4548 ± 0.0008 Å
• α: 90°
• β: 94.501 ± 0.001°
• γ: 90°
• Cell volume: 4251.2 ± 0.2 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: 0.058
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No