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Information card for entry 1554796
Preview
| Coordinates | 1554796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H44 B2 N2 O4 |
|---|---|
| Calculated formula | C24 H44 B2 N2 O4 |
| Title of publication | Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water. |
| Authors of publication | Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1212 - 1215 |
| a | 12.939 ± 0.003 Å |
| b | 13.093 ± 0.003 Å |
| c | 15.573 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2638.2 ± 1.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.1042 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1696 |
| Weighted residual factors for all reflections included in the refinement | 0.1916 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238124 (current) | 2019-11-24 | cif/ Adding structures of 1554796, 1554797, 1554798 via cif-deposit CGI script. |
1554796.cif |
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Users of the data should acknowledge the original authors of the
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