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Information card for entry 7132765
Preview
| Coordinates | 7132765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H36 N2 O9 |
|---|---|
| Calculated formula | C35 H36 N2 O9 |
| Title of publication | Quantifying macrocyclization-induced strain utilizing <i>N</i>-phenylimides as conformational reporters. |
| Authors of publication | Emenike, Bright U.; Shinn, David W.; Spinelle, Ronald A.; Yoo, Barney; Rosario, Ambar M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 30 |
| Pages of publication | 4040 - 4043 |
| a | 10.6256 ± 0.0006 Å |
| b | 14.683 ± 0.0008 Å |
| c | 20.9217 ± 0.001 Å |
| α | 110.478 ± 0.003° |
| β | 90.035 ± 0.002° |
| γ | 90.542 ± 0.002° |
| Cell volume | 3057.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291535 (current) | 2024-05-05 | cif/ Updating files of 7132765, 7132766, 7132767 Original log message: Adding full bibliography for 7132765--7132767.cif. |
7132765.cif |
| 289939 | 2024-02-24 | cif/ Adding structures of 7132765, 7132766, 7132767 via cif-deposit CGI script. |
7132765.cif |
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Users of the data should acknowledge the original authors of the
structural data.