Information card for entry 4037569

Structure parameters

• Formula: C20 H20 N4 O
• Calculated formula: C20 H20 N4 O
• Title of publication: Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.
• Authors of publication: Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1664 - 1672
• a: 8.8482 ± 0.0004 Å
• b: 9.1945 ± 0.0005 Å
• c: 22.0415 ± 0.0009 Å
• α: 81.339 ± 0.004°
• β: 78.471 ± 0.004°
• γ: 73.473 ± 0.004°
• Cell volume: 1676.01 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No