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Information card for entry 4027673
Preview
| Coordinates | 4027673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 N2 O2 |
|---|---|
| Calculated formula | C14 H20 N2 O2 |
| SMILES | ON1C(c2c(CC1)cccc2)C(=O)NC(C)(C)C |
| Title of publication | Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides |
| Authors of publication | Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 9878 - 9883 |
| a | 16.439 ± 0.002 Å |
| b | 8.9834 ± 0.0007 Å |
| c | 18.551 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2739.6 ± 0.5 Å3 |
| Cell temperature | 123.2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4027673.cif |
| 81758 | 2013-04-16 | cif/ Adding structures of 4027673 via cif-deposit CGI script. |
4027673.cif |
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Users of the data should acknowledge the original authors of the
structural data.