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Information card for entry 4022912
Preview
| Coordinates | 4022912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N4 O3 |
|---|---|
| Calculated formula | C17 H22 N4 O3 |
| Title of publication | Reactions of Nitroso Hetero-Diels-Alder Cycloadducts with Azides: Stereoselective Formation of Triazolines and Aziridines |
| Authors of publication | Brian S. Bodnar; Marvin J. Miller |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 3929 - 3932 |
| a | 5.6782 ± 0.0002 Å |
| b | 12.3245 ± 0.0004 Å |
| c | 12.3822 ± 0.0004 Å |
| α | 108.048 ± 0.002° |
| β | 102.326 ± 0.002° |
| γ | 90.219 ± 0.002° |
| Cell volume | 802.61 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Sample thermal history | cooled to 277 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178408 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/29. |
4022912.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022912.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022912.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4022912.cif |
| 950 | 2010-01-20 | cif/ Generating sample thermal history and and pressure history descriptions from titles or material preparation reports; to be used for distinguishing similar structures measured after different treatment. |
4022912.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022912.cif |
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Users of the data should acknowledge the original authors of the
structural data.