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Information card for entry 2022867
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| Coordinates | 2022867.cif |
|---|---|
| Structure factors | 2022867.hkl |
| Original paper (by DOI) | HTML |
| Common name | <i>N</i>,<i>N</i>-Diethyl-2,2-diphenyl-2<i>H</i>-1,3λ^3^,2λ^4^-benzodioxaborinin-7-amine |
|---|---|
| Chemical name | 7-(Diethylamino)-2,2-diphenyl-1,3-dioxa-2-borata-1,2-dihydronaphthalene |
| Formula | C23 H24 B N O2 |
| Calculated formula | C23 H24 B N O2 |
| Title of publication | Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties. |
| Authors of publication | Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 982 - 987 |
| a | 10.6725 ± 0.0005 Å |
| b | 11.8934 ± 0.0004 Å |
| c | 16.1411 ± 0.0007 Å |
| α | 86.207 ± 0.003° |
| β | 87.553 ± 0.004° |
| γ | 88.394 ± 0.003° |
| Cell volume | 2041.82 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1228 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1632 |
| Weighted residual factors for all reflections included in the refinement | 0.1957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288127 (current) | 2023-12-07 | cif/ Updating files of 2022866, 2022867 Original log message: Adding full bibliography for 2022866--2022867.cif. |
2022867.cif 2022867.hkl |
| 286649 | 2023-10-04 | cif/ hkl/ Adding structures of 2022866, 2022867 via cif-deposit CGI script. |
2022867.cif 2022867.hkl |
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