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Information card for entry 7151270
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| Coordinates | 7151270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin |
|---|---|
| Formula | C51 H51 B3 N6 O3 |
| Calculated formula | C51 H51 B3 N6 O3 |
| Title of publication | Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives. |
| Authors of publication | Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2006 |
| Journal volume | 4 |
| Journal issue | 17 |
| Pages of publication | 3297 - 3302 |
| a | 11.223 ± 0.002 Å |
| b | 13.252 ± 0.003 Å |
| c | 16.734 ± 0.003 Å |
| α | 75.48 ± 0.03° |
| β | 73.58 ± 0.03° |
| γ | 70.65 ± 0.03° |
| Cell volume | 2218.3 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1419 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180298 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/12. |
7151270.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151270.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151270.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7151270.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.