Information card for entry 1546907

Structure parameters

• Formula: C42 H67 Al Cl N2
• Calculated formula: C42 H67 Al Cl N2
• SMILES: Cl[Al](=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)(=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals
• Authors of publication: Kundu, Subrata; Sinhababu, Soumen; Dutta, Sayan; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Schwederski, Brigitte; Kaim, Wolfgang; Stückl, A. Claudia; Roesky, Herbert W.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 76
• Pages of publication: 10516 - 10519
• a: 14.41 ± 0.002 Å
• b: 17.145 ± 0.003 Å
• c: 17.2175 ± 0.0005 Å
• α: 90°
• β: 114.14 ± 0.01°
• γ: 90°
• Cell volume: 3881.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.6358 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No