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Information card for entry 1549344
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| Coordinates | 1549344.cif |
|---|---|
| Structure factors | 1549344.hkl |
| Original IUCr paper | HTML |
| Common name | 1,3-di(4-bromophenyl)propane |
|---|---|
| Chemical name | 1,3-Bis(4-bromophenyl)propane |
| Formula | C15 H14 Br2 |
| Calculated formula | C15 H14 Br2 |
| SMILES | Brc1ccc(CCCc2ccc(Br)cc2)cc1 |
| Title of publication | 1,3-Bis(4-bromophenyl)propane |
| Authors of publication | Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | x180563 |
| a | 7.4526 ± 0.0013 Å |
| b | 5.8441 ± 0.001 Å |
| c | 16.278 ± 0.003 Å |
| α | 90° |
| β | 101.808 ± 0.002° |
| γ | 90° |
| Cell volume | 694 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.376 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207575 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 1549344 via cif-deposit CGI script. |
1549344.cif 1549344.hkl |
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Users of the data should acknowledge the original authors of the
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