Information card for entry 1504102

Structure parameters

• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: n1(c2ccccc2c2ccccc12)C(=C(\N)c1ccccc1)\c1ccccc1
• Title of publication: Attempted generation of the potentially aromatic 6,7-diphenyldibenzo[e,g][1,4]diazocine dianion leads with profound rearrangement to the isomeric n-(2-amino-1,2-diphenylethenyl)carbazole dianions.
• Authors of publication: Eisch, John J.; Manchanayakage, Renuka N.; Rheingold, Arnold L.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4060 - 4063
• a: 10.0514 ± 0.0003 Å
• b: 10.6807 ± 0.0003 Å
• c: 17.5467 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.74 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No