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Information card for entry 1502608
Preview
| Coordinates | 1502608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NMe2_BPh2 |
|---|---|
| Chemical name | dimethylaminophenyl BPh2 |
| Formula | C27 H26 B N3 O |
| Calculated formula | C27 H26 B N3 O |
| SMILES | [B]1([n]2cc(ncc2C=C(O1)c1ccc(cc1)N(C)C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand. |
| Authors of publication | Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 24 |
| Pages of publication | 6544 - 6547 |
| a | 12.294 ± 0.003 Å |
| b | 8.786 ± 0.002 Å |
| c | 21.378 ± 0.006 Å |
| α | 90° |
| β | 98.416 ± 0.003° |
| γ | 90° |
| Cell volume | 2284.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502608.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502608.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502608.cif |
| 35893 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502608 via cif-deposit CGI script. |
1502608.cif |
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Users of the data should acknowledge the original authors of the
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