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Information card for entry 4129958
Preview
| Coordinates | 4129958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 N2 O2 |
|---|---|
| Calculated formula | C26 H32 N2 O2 |
| SMILES | OC1CCC(/N=C(\C(=N/C2CCC(O)CC2)c2ccccc2)c2ccccc2)CC1 |
| Title of publication | Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers. |
| Authors of publication | Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 4 |
| Pages of publication | 1142 - 1145 |
| a | 9.6534 ± 0.0004 Å |
| b | 12.1371 ± 0.0006 Å |
| c | 19.5361 ± 0.001 Å |
| α | 98.81 ± 0.004° |
| β | 97.793 ± 0.004° |
| γ | 90.592 ± 0.004° |
| Cell volume | 2239.91 ± 0.19 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4129958.cif |
| 240574 | 2019-11-25 | cif/ Adding structures of 4129958 via cif-deposit CGI script. |
4129958.cif |
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Users of the data should acknowledge the original authors of the
structural data.