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Information card for entry 1517501
Preview
| Coordinates | 1517501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Cl N O |
|---|---|
| Calculated formula | C19 H24 Cl N O |
| Title of publication | Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles. |
| Authors of publication | Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 16 |
| Pages of publication | 4308 - 4311 |
| a | 26.96214 ± 0.00019 Å |
| b | 12.68483 ± 0.0001 Å |
| c | 21.88641 ± 0.00018 Å |
| α | 90.4219 ± 0.0006° |
| β | 104.544 ± 0.0004° |
| γ | 89.797 ± 0.0004° |
| Cell volume | 7245.32 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | C -1 |
| Hall space group symbol | -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z) |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.2045 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517501.cif |
| 122803 | 2014-09-06 | cif/ Adding structures of 1517501 via cif-deposit CGI script. |
1517501.cif |
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Users of the data should acknowledge the original authors of the
structural data.