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Information card for entry 1519268
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| Coordinates | 1519268.cif |
|---|
| Formula | C11 H15 B O2 |
|---|---|
| Calculated formula | C11 H15 B O2 |
| SMILES | OB(/C=C/CCCc1ccccc1)O |
| Title of publication | (E)-5-Phenyl-pent-1-enyl-boronic acid |
| Authors of publication | Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2000 |
| Pages of publication | 528 |
| a | 7.515 ± 0.0002 Å |
| b | 9.3921 ± 0.0002 Å |
| c | 30.7365 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2169.43 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| 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. |
1519268.cif |
| 135610 | 2015-05-06 | cif/ Adding structures of 1519268 via cif-deposit CGI script. |
1519268.cif |
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Users of the data should acknowledge the original authors of the
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