Information card for entry 7152739

Structure parameters

• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: O=C(c1n(nc2ccccc12)c1ccccc1)c1ccccc1
• Title of publication: Silver-catalyzed [3+2]-cycloaddition of benzynes with diazocarbonyl species via a postulated (1H-indazol-1-yl)silver intermediate.
• Authors of publication: Wang, Chiou-Dong; Liu, Rai-Shung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 45
• Pages of publication: 8948 - 8952
• a: 8.6509 ± 0.0007 Å
• b: 9.6346 ± 0.0004 Å
• c: 10.4549 ± 0.0004 Å
• α: 112.631 ± 0.002°
• β: 100.874 ± 0.003°
• γ: 95.813 ± 0.003°
• Cell volume: 775.19 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No