Information card for entry 4087392

Structure parameters

• Formula: C19 H20 N2
• Calculated formula: C19 H20 N2
• SMILES: N(c1cccc2c1nc(cc2)C)c1c(cc(cc1C)C)C
• Title of publication: Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity
• Authors of publication: Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1354
• a: 7.1032 ± 0.0002 Å
• b: 8.6182 ± 0.0002 Å
• c: 12.4141 ± 0.0004 Å
• α: 98.911 ± 0.002°
• β: 90.099 ± 0.002°
• γ: 91.834 ± 0.002°
• Cell volume: 750.38 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No