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Information card for entry 1516746
Preview
| Coordinates | 1516746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 B N O3 |
|---|---|
| Calculated formula | C24 H18 B N O3 |
| SMILES | O1c2c(cccc2)C2c3c(O[B]1(Oc1c2cccc1)[n]1ccccc1)cccc3 |
| Title of publication | Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity. |
| Authors of publication | Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 761 - 764 |
| a | 14.8638 ± 0.0006 Å |
| b | 15.4624 ± 0.0006 Å |
| c | 16.3768 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3763.9 ± 0.3 Å3 |
| Cell temperature | 277.2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1516746.cif |
| 118775 | 2014-06-30 | cif/ Adding structures of 1516746 via cif-deposit CGI script. |
1516746.cif |
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Users of the data should acknowledge the original authors of the
structural data.