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Information card for entry 4000956
Preview
| Coordinates | 4000956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N3 O |
|---|---|
| Calculated formula | C18 H17 N3 O |
| SMILES | n1(c2ccccc2c2ccccc12)CCNC(=O)[C@H](C)[N]#[C] |
| Title of publication | Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides |
| Authors of publication | Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; de Gelder, Rene; Cornelissen, Jeroen J. L. M.; Van Eck, Ernst R. H.; Kentgens, Arno P. M.; Cacialli, Franco; Nolte, Roeland J. M.; Samorì, Paolo; Huck, Wilhelm T. S.; Rowan, Alan E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2010 |
| Journal volume | 22 |
| Journal issue | 8 |
| Pages of publication | 2597 |
| a | 9.0264 ± 0.0008 Å |
| b | 9.906 ± 0.0004 Å |
| c | 16.8195 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1503.92 ± 0.17 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections | 1.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000956.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000956.cif |
| 36601 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4000956 via cif-deposit CGI script. |
4000956.cif |
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Users of the data should acknowledge the original authors of the
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