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Information card for entry 7248733
Preview
| Coordinates | 7248733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (S)-Flavin-Trp(OMe) |
|---|---|
| Chemical name | (S)-2-Amino-N-(4-(7',8'-dimethylisoalloxazin-10'-yl)phenylcarbonyl)-3-(1H-indol-3-yl)propanoic acid methyl ester |
| Formula | C37 H45 N6 O8.5 S3 |
| Calculated formula | C37 H45 N6 O8.5 S3 |
| Title of publication | Time-resolved EPR observation of blue-light-induced radical ion pairs in a flavin-Trp dyad. |
| Authors of publication | Oka, Yoshimi; Inoue, Katsuya |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 16444 - 16448 |
| a | 11.5061 ± 0.0002 Å |
| b | 13.0272 ± 0.0002 Å |
| c | 14.0938 ± 0.0002 Å |
| α | 72.4941 ± 0.0007° |
| β | 84.3059 ± 0.0008° |
| γ | 81.3692 ± 0.0007° |
| Cell volume | 1988.62 ± 0.05 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293291 (current) | 2024-07-05 | cif/ Updating files of 7248733 Original log message: Adding full bibliography for 7248733.cif. |
7248733.cif |
| 292109 | 2024-05-30 | cif/ Adding structures of 7248733 via cif-deposit CGI script. |
7248733.cif |
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Users of the data should acknowledge the original authors of the
structural data.