Information card for entry 7106150

Structure parameters

• Formula: C35 H61 N4 Na O Zn
• Calculated formula: C35 H61 N4 Na O Zn
• SMILES: C(C)(C)(C)[Zn]12[N]3(C(CCCC3(C)C)(C)C)[Na]3([N](C)(C)CC[N]3(C)C)[O]1C(=C1C=CC(C(C)(C)C)C=[N]21)c1ccccc1
• Title of publication: Remote functionalisation via sodium alkylamidozincate intermediates: access to unusual fluorenone and pyridyl ketone reactivity patterns
• Authors of publication: James J. Crawford; Ben J. Fleming; Alan R. Kennedy; Jan Klett; Charles T. O’Hara; Samantha A. Orr
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3772
• a: 12.4016 ± 0.0004 Å
• b: 17.0724 ± 0.0005 Å
• c: 17.6812 ± 0.0005 Å
• α: 90°
• β: 92.959 ± 0.003°
• γ: 90°
• Cell volume: 3738.56 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No