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Information card for entry 4082681
Preview
| Coordinates | 4082681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H24 B2 Br4 O4 |
|---|---|
| Calculated formula | C18 H24 B2 Br4 O4 |
| Title of publication | High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes |
| Authors of publication | Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 5 |
| Pages of publication | 1291 |
| a | 9.5364 ± 0.0007 Å |
| b | 11.0935 ± 0.001 Å |
| c | 11.0574 ± 0.0008 Å |
| α | 90° |
| β | 96.013 ± 0.006° |
| γ | 90° |
| Cell volume | 1163.35 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4082681.cif |
| 178715 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26. |
4082681.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4082681.cif |
| 106764 | 2014-03-16 | cif/ Adding structures of 4082678, 4082679, 4082680, 4082681, 4082682, 4082683, 4082684, 4082685 via cif-deposit CGI script. |
4082681.cif |
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Users of the data should acknowledge the original authors of the
structural data.