Information card for entry 4026578

Structure parameters

• Formula: C25 H37 Cl N2 Si2
• Calculated formula: C25 H37 Cl N2 Si2
• SMILES: n1(c[n+](cc1)c1c(cccc1)[C@H]([Si](C)(C)C)C)c1c(cccc1)[C@H]([Si](C)(C)C)C.[Cl-]
• Title of publication: Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids
• Authors of publication: Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7341 - 7351
• a: 8.4419 ± 0.0005 Å
• b: 13.7473 ± 0.0008 Å
• c: 24.4406 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2836.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No