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Information card for entry 4514099
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| Coordinates | 4514099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195913 (current) | 2017-05-03 | cif/ Adding structures of 4514098, 4514099 via cif-deposit CGI script. |
4514099.cif |
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Users of the data should acknowledge the original authors of the
structural data.