Information card for entry 4085507

Structure parameters

• Formula: C30.46 H37 Li N1.54 O2.46
• Calculated formula: C30.46 H37 Li N1.54 O2.46
• Title of publication: Zincate-Mediated Arylation Reactions of Acridine: Pre- and Postarylation Structural Insights
• Authors of publication: Hernán-Gómez, Alberto; Herd, Emma; Uzelac, Marina; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Arom\?í, Guillem; Hevia, Eva
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2614
• a: 11.2576 ± 0.0014 Å
• b: 13.2749 ± 0.0015 Å
• c: 20.827 ± 0.004 Å
• α: 90°
• β: 121.455 ± 0.011°
• γ: 90°
• Cell volume: 2655.1 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No