Information card for entry 7103068

Structure parameters

• Formula: C28 H16 N2
• Calculated formula: C28 H16 N2
• SMILES: c1cccc2c(c3ccccc3c(c12)c1ccccc1C#N)c1ccccc1C#N
• Title of publication: Remote substituent effects on the photooxygenation of 9,10-diarylanthracenes: strong evidence for polar intermediates.
• Authors of publication: Fudickar, Werner; Linker, Torsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1771 - 1773
• a: 10.9801 ± 0.001 Å
• b: 14.1658 ± 0.0015 Å
• c: 12.9428 ± 0.0013 Å
• α: 90°
• β: 92.15 ± 0.008°
• γ: 90°
• Cell volume: 2011.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No