Information card for entry 4031905

Structure parameters

• Formula: C22 H14 O
• Calculated formula: C22 H14 O
• SMILES: c1cccc2c1cc1c(c2c2ccccc2)c2c(cccc2)o1
• Title of publication: Synthesis of Fused Dibenzofuran Derivatives via Palladium-Catalyzed Domino C-C Bond Formation and Iron-Catalyzed Cycloisomerization/Aromatization.
• Authors of publication: Paul, Kartick; Jalal, Swapnadeep; Kundal, Sandip; Jana, Umasish
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 1164 - 1174
• a: 9.1784 ± 0.0002 Å
• b: 10.2343 ± 0.0002 Å
• c: 10.5109 ± 0.0003 Å
• α: 98.755 ± 0.002°
• β: 113.273 ± 0.002°
• γ: 114.44 ± 0.001°
• Cell volume: 764.64 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No