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Information card for entry 1546463
Preview
| Coordinates | 1546463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O |
|---|---|
| Calculated formula | C21 H19 N O |
| SMILES | c1(ccc(cc1)C)C1(C)N(c2ccccc2)c2c(cccc2)O1 |
| Title of publication | Highly Selective Synthesis of Dihydrobenzo[d]isoxazoles and Dihydrobenzo[d]oxazoles from Oximes and Arynes via in Situ Generation of Nitrones. |
| Authors of publication | Yao, Tuanli; Ren, Beige; Wang, Bo; Zhao, Yanna |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 12 |
| Pages of publication | 3135 - 3138 |
| a | 9.468 ± 0.003 Å |
| b | 19.074 ± 0.007 Å |
| c | 9.275 ± 0.003 Å |
| α | 90° |
| β | 103.8 ± 0.02° |
| γ | 90° |
| Cell volume | 1626.6 ± 1 Å3 |
| Cell temperature | 276 ± 2 K |
| Ambient diffraction temperature | 276 ± 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 | 0.0916 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198403 (current) | 2017-07-05 | cif/ Adding structures of 1546463 via cif-deposit CGI script. |
1546463.cif |
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