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Information card for entry 4064963
Preview
| Coordinates | 4064963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (2-dimesitylborylphenyl)(2'-diphenylphosphanylphenyl)acetylene |
|---|---|
| Chemical name | (2-dimesitylborylphenyl)(2-diphenylphosphanylphenyl)acetylene |
| Formula | C44 H40 B P |
| Calculated formula | C44 H40 B P |
| SMILES | C(#Cc1c(cccc1)P(c1ccccc1)c1ccccc1)c1c(cccc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Zwitterionic Ladder Stilbenes with Phosphonium and Borate Bridges: Intramolecular Cascade Cyclization and Structure‒Photophysical Properties Relationship |
| Authors of publication | Fukazawa, Aiko; Yamaguchi, Eriko; Ito, Emi; Yamada, Hiroshi; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 14 |
| Pages of publication | 3870 |
| a | 17.177 ± 0.003 Å |
| b | 12.4963 ± 0.0019 Å |
| c | 17.48 ± 0.003 Å |
| α | 90° |
| β | 114.097 ± 0.0019° |
| γ | 90° |
| Cell volume | 3425.1 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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. |
4064963.cif |
| 178543 | 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 4/06/49. |
4064963.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064963.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064963.cif |
| 33116 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064963 via cif-deposit CGI script. |
4064963.cif |
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