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Information card for entry 4504170
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Coordinates | 4504170.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-Iodophenylboronic acid hydrate |
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Formula | C6 H6 B I O2.5 |
Calculated formula | C6 H6 B I O2.5 |
SMILES | B(c1ccc(I)cc1)(O)O.O |
Title of publication | Supramolecular Architecture in Some 4-Halophenylboronic Acids |
Authors of publication | Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 1958 |
a | 15.157 ± 0.008 Å |
b | 24.837 ± 0.001 Å |
c | 9.872 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3716 ± 3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 72 |
Hermann-Mauguin space group symbol | I b a m |
Hall space group symbol | -I 2 2c |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1554 |
Weighted residual factors for all reflections included in the refinement | 0.1848 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4504170.html
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