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Information card for entry 1518689
Preview
| Coordinates | 1518689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | RH2927-2 |
|---|---|
| Chemical name | 5-Acetyl-5,6-dihydro-6-hydroxydibenzo[c,e][1,2]azaborine, dehydrated dimer |
| Formula | C32 H30 B2 N2 O5 |
| Calculated formula | C32 H30 B2 N2 O5 |
| Title of publication | Boron-Selective Biaryl Coupling Approach to Versatile Dibenzoxaborins and Application to Concise Synthesis of Defucogilvocarcin M. |
| Authors of publication | Sumida, Yuto; Harada, Ryu; Kato-Sumida, Tomoe; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 6240 |
| a | 17.2259 ± 0.0003 Å |
| b | 19.4533 ± 0.0004 Å |
| c | 25.7366 ± 0.0005 Å |
| α | 90° |
| β | 103.161 ± 0.001° |
| γ | 90° |
| Cell volume | 8397.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518689.cif |
| 176729 | 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. |
1518689.cif |
| 131299 | 2015-02-07 | cif/ Adding structures of 1518689 via cif-deposit CGI script. |
1518689.cif |
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Users of the data should acknowledge the original authors of the
structural data.