Information card for entry 1520751

Structure parameters

• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• Title of publication: Triple Aryne-Tetrazine Reaction Enabling Rapid Access to a New Class of Polyaromatic Heterocycles.
• Authors of publication: Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5128 - 5132
• a: 11.9993 ± 0.0009 Å
• b: 4.2453 ± 0.0003 Å
• c: 29.803 ± 0.002 Å
• α: 90°
• β: 100.261 ± 0.004°
• γ: 90°
• Cell volume: 1493.9 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No