Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346723
Preview
| Coordinates | 4346723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C97 H105 F3 Mn N7 O3 S |
|---|---|
| Calculated formula | C97 H105 F3 Mn N7 O3 S |
| Title of publication | Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine. |
| Authors of publication | Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 7 |
| Pages of publication | 3218 - 3228 |
| a | 19.9174 ± 0.0005 Å |
| b | 21.8922 ± 0.0004 Å |
| c | 20.3238 ± 0.0005 Å |
| α | 90° |
| β | 110.584 ± 0.003° |
| γ | 90° |
| Cell volume | 8296.1 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4346723.cif |
| 231937 | 2019-11-23 | cif/ Adding structures of 4346723 via cif-deposit CGI script. |
4346723.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.