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Information card for entry 7212362
Preview
Coordinates | 7212362.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H15 N O2 |
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Calculated formula | C20 H15 N O2 |
SMILES | O1N=C2c3c4ccccc4ccc3OC[C@H]2[C@@H]1c1ccccc1.O1N=C2c3c4ccccc4ccc3OC[C@@H]2[C@H]1c1ccccc1 |
Title of publication | ‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB) |
Authors of publication | Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa |
Journal of publication | Green Chemistry |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 6 |
Pages of publication | 1090 |
a | 22.045 ± 0.0003 Å |
b | 9.268 ± 0.0002 Å |
c | 17.8038 ± 0.0004 Å |
α | 90° |
β | 124.751 ± 0.001° |
γ | 90° |
Cell volume | 2988.74 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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