Information card for entry 7105362

Structure parameters

• Formula: C27 H52 N3 Na O Zn
• Calculated formula: C27 H52 N3 Na O Zn
• SMILES: [Na]12([N]3(C(C)(C)CCCC3(C)C)[Zn](c3c(cccc3)C[O]2C)C(C)(C)C)[N](C)(C)CC[N]1(C)C
• Title of publication: Structural elaboration of the surprising ortho-zincation of benzyl methyl ether.
• Authors of publication: Balloch, Liam; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E; O'Hara, Charles T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 2319 - 2321
• a: 9.236 ± 0.002 Å
• b: 16.527 ± 0.002 Å
• c: 10.6095 ± 0.0019 Å
• α: 90°
• β: 114.39 ± 0.03°
• γ: 90°
• Cell volume: 1474.9 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No