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Information card for entry 4514070
Preview
| Coordinates | 4514070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H29 F3 N O |
|---|---|
| Calculated formula | C38 H29 F3 N O |
| Title of publication | Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles |
| Authors of publication | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| a | 15.083 ± 0.002 Å |
| b | 14.7314 ± 0.0019 Å |
| c | 26.284 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5840.1 ± 1.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194429 (current) | 2017-03-23 | cif/ Adding structures of 4514070 via cif-deposit CGI script. |
4514070.cif |
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Users of the data should acknowledge the original authors of the
structural data.