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Information card for entry 7155804
Preview
Coordinates | 7155804.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | glyzide diazaborine |
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Formula | C9 H10 B N3 O2 |
Calculated formula | C9 H10 B N3 O2 |
SMILES | O[B]12[NH2]CC(=O)N1N=Cc1c2cccc1 |
Title of publication | Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids |
Authors of publication | Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan |
Journal of publication | Org. Biomol. Chem. |
Year of publication | 2017 |
a | 17.208 ± 0.0008 Å |
b | 5.9717 ± 0.0002 Å |
c | 9.2902 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 954.67 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.1696 |
Weighted residual factors for all reflections included in the refinement | 0.1781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7155804.html
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