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Information card for entry 7116271
Preview
| Coordinates | 7116271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H14 Cl N O |
|---|---|
| Calculated formula | C14 H14 Cl N O |
| Title of publication | Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes. |
| Authors of publication | Wang, Bao-Juan; Xue, Ping; Gu, Peiming |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 12 |
| Pages of publication | 2277 - 2279 |
| a | 17.485 ± 0.002 Å |
| b | 10.6501 ± 0.0011 Å |
| c | 13.4479 ± 0.0014 Å |
| α | 90° |
| β | 97.808 ± 0.011° |
| γ | 90° |
| Cell volume | 2481 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1953 |
| Weighted residual factors for all reflections included in the refinement | 0.2273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116271.cif |
| 180276 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62. |
7116271.cif |
| 130914 | 2015-02-04 | cif/ Updating files of 7116270, 7116271 Original log message: Adding full bibliography for 7116270--7116271.cif. |
7116271.cif |
| 129365 | 2015-01-06 | cif/ Adding structures of 7116270, 7116271 via cif-deposit CGI script. |
7116271.cif |
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