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Information card for entry 7249351
Preview
| Coordinates | 7249351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 N O2 |
|---|---|
| Calculated formula | C9 H9 N O2 |
| Title of publication | Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers. |
| Authors of publication | Heiner, Benjamin R.; Handy, Kaitlyn M.; Devlin, Angela M.; Soucek, Jewel L.; Pittsford, Alexander M.; Turner, David A.; Petersen, Jacob P.; Oliver, Allen G.; Corcelli, Steven A.; Kandel, S. Alex |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 39 |
| Pages of publication | 25430 - 25438 |
| a | 5.3771 ± 0.0002 Å |
| b | 5.7567 ± 0.0002 Å |
| c | 12.4675 ± 0.0005 Å |
| α | 90° |
| β | 101.824 ± 0.003° |
| γ | 90° |
| Cell volume | 377.73 ± 0.02 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296706 (current) | 2024-12-06 | cif/ Updating files of 7249351 Original log message: Adding full bibliography for 7249351.cif. |
7249351.cif |
| 294792 | 2024-09-19 | cif/ Adding structures of 7249351 via cif-deposit CGI script. |
7249351.cif |
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