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Information card for entry 1520358
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| Coordinates | 1520358.cif |
|---|
| Formula | C31 H32 B N O2 |
|---|---|
| Calculated formula | C31 H32 B N O3 |
| Title of publication | (C8H14NO2)+ . (C24H20B)- |
| Authors of publication | Tizzard, Graham. J.; Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W. B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2009 |
| Pages of publication | 816 |
| a | 19.3041 ± 0.0007 Å |
| b | 13.1353 ± 0.0005 Å |
| c | 10.1462 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2572.72 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138361 (current) | 2015-06-05 | cif/ Adding structures of 1520358 via cif-deposit CGI script. |
1520358.cif |
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Users of the data should acknowledge the original authors of the
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