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Information card for entry 7151713
Preview
| Coordinates | 7151713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C16 H18 N2 O2 |
|---|---|
| Calculated formula | C16 H18 N2 O2 |
| SMILES | O=Cc1c(N(C)C)c2c(cc1)ccc(c2N(C)C)C=O |
| 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 | 13.333 ± 0.002 Å |
| b | 10.094 ± 0.002 Å |
| c | 11.308 ± 0.004 Å |
| α | 90° |
| β | 109.94 ± 0.02° |
| γ | 90° |
| Cell volume | 1430.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151713.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151713.cif |
| 180303 | 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. |
7151713.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151713.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151713.cif |
| 15002 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151713, 7151714, 7151715, 7151716 via cif-deposit CGI script. |
7151713.cif |
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Users of the data should acknowledge the original authors of the
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