Information card for entry 4106606

Structure parameters

• Formula: C34 H27 Cl3 N4
• Calculated formula: C34 H27 Cl2.991 N4
• Title of publication: Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles
• Authors of publication: Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13169 - 13175
• a: 12.8319 ± 0.0016 Å
• b: 10.1506 ± 0.0013 Å
• c: 23.295 ± 0.003 Å
• α: 90°
• β: 101.167 ± 0.002°
• γ: 90°
• Cell volume: 2976.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No