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Information card for entry 2018510
Preview
| Coordinates | 2018510.cif |
|---|---|
| Structure factors | 2018510.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 1-dibromoboryl-4-(trimethylsilyl)benzene |
|---|---|
| Formula | C9 H13 B Br2 Si |
| Calculated formula | C9 H13 B Br2 Si |
| SMILES | [Si](c1ccc(B(Br)Br)cc1)(C)(C)C |
| Title of publication | Structural characteristics of dibromoborylated benzene derivatives |
| Authors of publication | Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o226 - o230 |
| a | 6.7452 ± 0.0005 Å |
| b | 15.239 ± 0.0012 Å |
| c | 12.4123 ± 0.001 Å |
| α | 90° |
| β | 93.841 ± 0.006° |
| γ | 90° |
| Cell volume | 1273 ± 0.17 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018510.cif 2018510.hkl |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018510.cif 2018510.hkl |
| 180854 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018510.cif 2018510.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018510.cif 2018510.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018510.cif 2018510.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018510.cif 2018510.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018510.cif 2018510.hkl |
| 61924 | 2012-07-05 | cif/ Adding structures of 2018509, 2018510, 2018511, 2018512, 2018513 via cif-deposit CGI script. |
2018510.cif |
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Users of the data should acknowledge the original authors of the
structural data.