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Information card for entry 4342474
Preview
| Coordinates | 4342474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CNArTripp2 |
|---|---|
| Formula | C37 H49 N |
| Calculated formula | C37 H49 N |
| SMILES | [C]#[N]c1c(cccc1c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C |
| Title of publication | Comparative measure of the electronic influence of highly substituted aryl isocyanides. |
| Authors of publication | Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2936 - 2944 |
| a | 10.9087 ± 0.0013 Å |
| b | 12.0442 ± 0.0014 Å |
| c | 25.283 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3321.8 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342474.cif |
| 179527 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/24. |
4342474.cif |
| 134791 | 2015-04-04 | cif/ Updating files of 4342470, 4342471, 4342472, 4342473, 4342474, 4342475, 4342476, 4342477, 4342478, 4342479, 4342480, 4342481 Original log message: Adding full bibliography for 4342470--4342481.cif. |
4342474.cif |
| 132150 | 2015-02-21 | cif/ Adding structures of 4342470, 4342471, 4342472, 4342473, 4342474, 4342475, 4342476, 4342477, 4342478, 4342479, 4342480, 4342481 via cif-deposit CGI script. |
4342474.cif |
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Users of the data should acknowledge the original authors of the
structural data.