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Information card for entry 4021893
Preview
Coordinates | 4021893.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H20 B N O |
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Calculated formula | C27 H20 B N O |
SMILES | O1[B]([n]2cccc3c(ccc1c23)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence |
Authors of publication | Yi Cui; Suning Wang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 6485 - 6496 |
a | 7.7042 ± 0.0013 Å |
b | 18.073 ± 0.003 Å |
c | 14.668 ± 0.003 Å |
α | 90° |
β | 98.44 ± 0.004° |
γ | 90° |
Cell volume | 2020.3 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1618 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.0695 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.719 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021893.html
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