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Information card for entry 7151907
Preview
| Coordinates | 7151907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C16 H19 N5 |
|---|---|
| Calculated formula | C16 H19 N5 |
| SMILES | n1c(N)c(c(N)c(c1CCCC=C1CCCC1)C#N)C#N |
| Title of publication | New multicomponent cyclization: domino synthesis of pentasubstituted pyridines under solvent-free conditions. |
| Authors of publication | Jiang, Bo; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang; Li, Guigen |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 4025 - 4028 |
| a | 9.0838 ± 0.0014 Å |
| b | 24.279 ± 0.002 Å |
| c | 14.5751 ± 0.0018 Å |
| α | 90° |
| β | 102.451 ± 0.002° |
| γ | 90° |
| Cell volume | 3138.9 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.143 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1719 |
| Weighted residual factors for all reflections included in the refinement | 0.1987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 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. |
7151907.cif |
| 180305 | 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 7/15/19. |
7151907.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151907.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151907.cif |
| 23563 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7151907 via cif-deposit CGI script. |
7151907.cif |
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Users of the data should acknowledge the original authors of the
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