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Information card for entry 4132997
Preview
| Coordinates | 4132997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C104 H70 N12 |
|---|---|
| Calculated formula | C104 H70 N12 |
| SMILES | c12c3c4c(cc1)c(N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)cc(c4ccc3c(N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)cc2N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1 |
| Title of publication | Molecular Quadripod as a Noncovalent Interfacial Coupling Reagent for Forming Immobilized Coordination Assemblies. |
| Authors of publication | Tang, Jian-Hong; Cai, Zhenfeng; Yan, Dong; Tang, Kun; Shao, Jiang-Yang; Zhan, Chuanlang; Wang, Dong; Zhong, Yu-Wu; Wan, Li-Jun; Yao, Jiannian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 39 |
| Pages of publication | 12337 - 12340 |
| a | 14.594 ± 0.004 Å |
| b | 15.377 ± 0.004 Å |
| c | 15.584 ± 0.004 Å |
| α | 93.674 ± 0.001° |
| β | 117.541 ± 0.001° |
| γ | 117.376 ± 0.003° |
| Cell volume | 2578 ± 1.2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1201 |
| Residual factor for significantly intense reflections | 0.1058 |
| Weighted residual factors for significantly intense reflections | 0.2978 |
| Weighted residual factors for all reflections included in the refinement | 0.3107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4132997.cif |
| 242849 | 2019-11-26 | cif/ Adding structures of 4132997 via cif-deposit CGI script. |
4132997.cif |
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Users of the data should acknowledge the original authors of the
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