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Information card for entry 7151716
Preview
| Coordinates | 7151716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N5 |
|---|---|
| Calculated formula | C24 H22 N5 |
| SMILES | N(c1c(ccc2cccc(N(C)C)c12)/C=C(C#N)/c1[nH]c2ccccc2n1)(C)C |
| Title of publication | Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect. |
| Authors of publication | Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 1887 - 1900 |
| a | 10.247 ± 0.004 Å |
| b | 11.52 ± 0.004 Å |
| c | 34.634 ± 0.013 Å |
| α | 90° |
| β | 102.208 ± 0.007° |
| γ | 90° |
| Cell volume | 3996 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1712 |
| Residual factor for significantly intense reflections | 0.0859 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180303 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151716.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151716.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151716.cif |
| 15002 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151713, 7151714, 7151715, 7151716 via cif-deposit CGI script. |
7151716.cif |
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Users of the data should acknowledge the original authors of the
structural data.