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Information card for entry 7245550
Preview
| Coordinates | 7245550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 B F2 N2 O4 |
|---|---|
| Calculated formula | C37 H33 B F2 N2 O4 |
| SMILES | F[B]1(F)[n]2c(=C(c3ccc(C(=O)OC)cc3)c3n1c(cc3C)/C=C/c1ccc(OC)cc1)c(C)cc2/C=C/c1ccc(OC)cc1 |
| Title of publication | Red light active Pt(iv)–BODIPY prodrug as a mitochondria and endoplasmic reticulum targeted chemo-PDT agent |
| Authors of publication | Bera, Arpan; Gautam, Srishti; Sahoo, Somarupa; Pal, Apurba Kumar; Kondaiah, Paturu; Chakravarty, Akhil R. |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2022 |
| a | 8.0359 ± 0.0006 Å |
| b | 10.4033 ± 0.0008 Å |
| c | 19.0153 ± 0.0013 Å |
| α | 96.528 ± 0.005° |
| β | 98.497 ± 0.005° |
| γ | 105.124 ± 0.005° |
| Cell volume | 1498.4 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2146 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.2176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278097 (current) | 2022-09-23 | cif/ Adding structures of 7245550 via cif-deposit CGI script. |
7245550.cif |
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Users of the data should acknowledge the original authors of the
structural data.