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Information card for entry 1557664
Preview
Coordinates | 1557664.cif |
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Original paper (by DOI) | HTML |
Formula | C7 H7 B O3 |
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Calculated formula | C7 H7 B O3 |
SMILES | OB(O)c1ccc(C=O)cc1 |
Title of publication | The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. |
Authors of publication | Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2020 |
a | 7.1663 ± 0.0005 Å |
b | 9.8589 ± 0.0005 Å |
c | 9.865 ± 0.0006 Å |
α | 90° |
β | 100.286 ± 0.007° |
γ | 90° |
Cell volume | 685.78 ± 0.07 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | I 1 a 1 |
Hall space group symbol | I -2ya |
Residual factor for all reflections | 0.0605 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1491 |
Weighted residual factors for all reflections included in the refinement | 0.1554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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249763 (current) | 2020-03-27 | cif/ Adding structures of 1557664 via cif-deposit CGI script. |
1557664.cif |
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Users of the data should acknowledge the original authors of the
structural data.