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Information card for entry 4123808
Preview
| Coordinates | 4123808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H68 Fe2 N6 O9 |
|---|---|
| Calculated formula | C62 H68 Fe2 N6 O9 |
| Title of publication | Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide. |
| Authors of publication | Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 24 |
| Pages of publication | 7869 - 7880 |
| a | 17.349 ± 0.004 Å |
| b | 17.563 ± 0.004 Å |
| c | 23.855 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7269 ± 3 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.1796 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4123808.cif |
| 140124 | 2015-07-05 | cif/ Updating files of 4123808 Original log message: Adding full bibliography for 4123808.cif. |
4123808.cif |
| 139049 | 2015-06-11 | cif/ Adding structures of 4123808 via cif-deposit CGI script. |
4123808.cif |
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Users of the data should acknowledge the original authors of the
structural data.