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Information card for entry 4066888
Preview
| Coordinates | 4066888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C45 H45 B |
|---|---|
| Calculated formula | C45 H45 B |
| SMILES | B(c1ccc(c2ccc(c3ccc(c4c(cc(cc4C)C)C)cc3)cc2)cc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C |
| Title of publication | Reactivity of Aryldimesitylboranes under Suzuki−Miyaura Coupling Conditions |
| Authors of publication | Wang, Nan; Hudson, Zachary M.; Wang, Suning |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 4007 |
| a | 10.5203 ± 0.0004 Å |
| b | 11.1484 ± 0.0004 Å |
| c | 16.2389 ± 0.0006 Å |
| α | 90.825 ± 0.003° |
| β | 101.464 ± 0.003° |
| γ | 111.939 ± 0.002° |
| Cell volume | 1723.15 ± 0.12 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1684 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4066888.cif |
| 178560 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68. |
4066888.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066888.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066888.cif |
| 34013 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066886, 4066887, 4066888 via cif-deposit CGI script. |
4066888.cif |
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Users of the data should acknowledge the original authors of the
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