Information card for entry 7104504

Structure parameters

• Formula: C31 H54 Li N O2 Si2 Zn
• Calculated formula: C31 H54 Li N O2 Si2 Zn
• SMILES: [Zn]1([N]2(C(CCCC2(C)C)(C)C)[Li]([O](c2ccccc2)[Si](C1)(C)C)[O]([Si](C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Direct lateral metallation using alkali-metal mediated zincation (AMMZn): SiC-H vs.Si-O bond cleavage.
• Authors of publication: Hevia, Eva; Kennedy, Alan R; Klett, Jan; McCall, Matthew D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3240 - 3242
• a: 12.493 ± 0.0003 Å
• b: 12.891 ± 0.0003 Å
• c: 20.8841 ± 0.0005 Å
• α: 90°
• β: 92.494 ± 0.002°
• γ: 90°
• Cell volume: 3360.14 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No