Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7063904
Preview
| Coordinates | 7063904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N2 O2 |
|---|---|
| Calculated formula | C21 H18 N2 O2 |
| Title of publication | Synthesis of compact water-soluble bioconjugatable porphyrins for life sciences applications |
| Authors of publication | Ngo, Quang-Thien; Cao, Phuong-Lien Doan; Wu, Zhiyuan; Siwawannapong, Kittipan; Ntim, Thomas; Nalaoh, Phattananawee; Lindsey, Jonathan S. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 7.2415 ± 0.0002 Å |
| b | 17.2244 ± 0.0005 Å |
| c | 13.8163 ± 0.0004 Å |
| α | 90° |
| β | 99.585 ± 0.001° |
| γ | 90° |
| Cell volume | 1699.26 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301349 (current) | 2025-07-24 | cif/ Adding structures of 7063903, 7063904 via cif-deposit CGI script. |
7063904.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.