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Information card for entry 7203917
Preview
Coordinates | 7203917.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | benzonitrile |
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Formula | C14 H11 N O |
Calculated formula | C14 H11 N O |
SMILES | c1(c(c(ccc1)O)C#N)Cc1ccccc1 |
Title of publication | The synthesis of 2-arylmethyl-6-hydroxybenzenecarbonitriles from the base-mediated aryne reaction of bromophenols with arylacetonitriles |
Authors of publication | Tandel, Sagun; Zhang, Hongming; Qadri, Nabil; Ford, George P.; Biehl, Edward R. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2000 |
Journal issue | 4 |
Pages of publication | 587 |
a | 10.496 ± 0.001 Å |
b | 11.407 ± 0.001 Å |
c | 18.715 ± 0.001 Å |
α | 90° |
β | 91.53 ± 0.01° |
γ | 90° |
Cell volume | 2239.9 ± 0.3 Å3 |
Cell temperature | 228 ± 2 K |
Ambient diffraction temperature | 228 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0901 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for all reflections | 0.1385 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Goodness-of-fit parameter for all reflections | 1.014 |
Goodness-of-fit parameter for significantly intense reflections | 1.093 |
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/7203917.html
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