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Information card for entry 1549355
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| Coordinates | 1549355.cif |
|---|---|
| Structure factors | 1549355.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran |
|---|---|
| Formula | C28 H20 Br2 O |
| Calculated formula | C28 H20 Br2 O |
| SMILES | BrC1=C(Br)C(OC1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran |
| Authors of publication | Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | x180416 |
| a | 9.4301 ± 0.0005 Å |
| b | 9.4561 ± 0.0005 Å |
| c | 24.8572 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2216.6 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.0473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207586 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 1549355 via cif-deposit CGI script. |
1549355.cif 1549355.hkl |
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Users of the data should acknowledge the original authors of the
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