Information card for entry 7106149

Structure parameters

• Formula: C36 H60 N3 Na O Zn
• Calculated formula: C36 H60 N3 Na O Zn
• SMILES: [N]12(C(CCCC1(C)C)(C)C)[Na]1([O](C3c4ccccc4C4C=3C=CC(C=4)C(C)(C)C)[Zn]2C(C)(C)C)[N](CC[N]1(C)C)(C)C
• 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: 10.2426 ± 0.0006 Å
• b: 19.6573 ± 0.0015 Å
• c: 36.846 ± 0.003 Å
• α: 90°
• β: 94.903 ± 0.006°
• γ: 90°
• Cell volume: 7391.5 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No