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Information card for entry 7048571
Preview
| Coordinates | 7048571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H38 B2 N4 O6 |
|---|---|
| Calculated formula | C50 H38 B2 N4 O6 |
| Title of publication | Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts. |
| Authors of publication | Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 6 |
| Pages of publication | 2118 - 2127 |
| a | 14.9464 ± 0.0015 Å |
| b | 14.1675 ± 0.0014 Å |
| c | 19.4407 ± 0.0019 Å |
| α | 90° |
| β | 107.427 ± 0.001° |
| γ | 90° |
| Cell volume | 3927.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048571.cif |
| 224145 | 2019-11-07 | cif/ Updating files of 7048570, 7048571, 7048572 Original log message: Adding full bibliography for 7048570--7048572.cif. |
7048571.cif |
| 212969 | 2019-01-11 | cif/ Adding structures of 7048570, 7048571, 7048572 via cif-deposit CGI script. |
7048571.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.