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Information card for entry 4342298
Preview
Coordinates | 4342298.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H35 B O |
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Calculated formula | C47 H35 B O |
SMILES | B1(C(=C(C(=C(C(c2ccccc2)(c2ccccc2)O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles. |
Authors of publication | Huang, Kexuan; Martin, Caleb D. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 4 |
Pages of publication | 1869 - 1875 |
a | 10.3111 ± 0.0003 Å |
b | 15.8416 ± 0.0005 Å |
c | 11.703 ± 0.0004 Å |
α | 90° |
β | 115.112 ± 0.001° |
γ | 90° |
Cell volume | 1730.93 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4342298.html
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