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Information card for entry 7154119
Preview
Coordinates | 7154119.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3aa |
---|---|
Formula | C23 H19 N O3 |
Calculated formula | C23 H19 N O3 |
SMILES | O(/N=C/c1c2c(c(oc2c(OC)cc1)c1ccccc1)c1ccccc1)C |
Title of publication | Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans. |
Authors of publication | Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 45 |
Pages of publication | 9105 - 9108 |
a | 11.2184 ± 0.0005 Å |
b | 11.0939 ± 0.0005 Å |
c | 15.1186 ± 0.0007 Å |
α | 90° |
β | 103.13 ± 0.001° |
γ | 90° |
Cell volume | 1832.41 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7154119.html
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