Information card for entry 4514099

Structure parameters

• Common name: 2-phenylbenzofuran-5-carbaldehyde
• Chemical name: 2-phenylbenzofuran-5-carbaldehyde
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: o1c2c(cc(C=O)cc2)cc1c1ccccc1
• Title of publication: Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.
• Authors of publication: Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 13785 - 13792
• a: 8.3515 ± 0.0007 Å
• b: 5.6087 ± 0.0004 Å
• c: 23.3147 ± 0.0019 Å
• α: 90°
• β: 98.894 ± 0.008°
• γ: 90°
• Cell volume: 1078.95 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No