Information card for entry 4107861

Structure parameters

• Formula: C16 H12 N2
• Calculated formula: C16 H12 N2
• Title of publication: AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?
• Authors of publication: Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7339 - 7344
• a: 5.8275 ± 0.0003 Å
• b: 7.8508 ± 0.0004 Å
• c: 12.515 ± 0.0007 Å
• α: 101.29 ± 0.003°
• β: 100.541 ± 0.003°
• γ: 94.365 ± 0.004°
• Cell volume: 548.28 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No