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Information card for entry 4071630
Preview
| Coordinates | 4071630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1-(4-fluorophenyl)-2,3,4,5- tetraphenylborole |
|---|---|
| Formula | C34 H24 B F |
| Calculated formula | C34 H24 B F |
| SMILES | B1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)F |
| Title of publication | Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions |
| Authors of publication | So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3496 |
| a | 10.975 ± 0.005 Å |
| b | 9.582 ± 0.004 Å |
| c | 24.482 ± 0.011 Å |
| α | 90° |
| β | 97.028 ± 0.007° |
| γ | 90° |
| Cell volume | 2555 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.7107 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. |
4071630.cif |
| 178605 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16. |
4071630.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071630.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071630.cif |
| 43954 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071628, 4071629, 4071630, 4071631, 4071632 via cif-deposit CGI script. |
4071630.cif |
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Users of the data should acknowledge the original authors of the
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