Information card for entry 4085509

Structure parameters

• Formula: C31 H38 Li N O3
• Calculated formula: C31 H38 Li N O3
• SMILES: [Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)N1c2c(C(c3ccccc13)c1ccccc1)cccc2
• 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: 23.5458 ± 0.0017 Å
• b: 12.2928 ± 0.0006 Å
• c: 22.9569 ± 0.0015 Å
• α: 90°
• β: 119.215 ± 0.009°
• γ: 90°
• Cell volume: 5799.5 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No