Information card for entry 7158339

Structure parameters

• Formula: C30 H19 N O
• Calculated formula: C30 H19 N O
• SMILES: o1c2n3c(c(c(c4ccccc4)c2c2ccccc12)c1ccccc1)cc1c3cccc1
• Title of publication: Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.
• Authors of publication: Rao, Maddali L. N.; Islam, Sk Shamim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 41
• Pages of publication: 9076 - 9080
• a: 7.4594 ± 0.0004 Å
• b: 11.112 ± 0.0005 Å
• c: 12.7546 ± 0.0006 Å
• α: 72.929 ± 0.001°
• β: 85.141 ± 0.001°
• γ: 80.711 ± 0.001°
• Cell volume: 996.6 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No