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Information card for entry 1574888
Preview
| Coordinates | 1574888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H13 N3 O2 |
|---|---|
| Calculated formula | C21 H13 N3 O2 |
| Title of publication | Isomer-Dependent Reactivity in the Solid State: Topochemical [4+4] vs. [4+2] Cycloaddition Reactions |
| Authors of publication | Lal, Anu; Sureshan, Kana M. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.2554 ± 0.0016 Å |
| b | 9.4866 ± 0.0017 Å |
| c | 10.2722 ± 0.0019 Å |
| α | 81.063 ± 0.007° |
| β | 86.002 ± 0.007° |
| γ | 73.425 ± 0.007° |
| Cell volume | 761.4 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0971 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300123 (current) | 2025-06-19 | cif/ Adding structures of 1574887, 1574888 via cif-deposit CGI script. |
1574888.cif |
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Users of the data should acknowledge the original authors of the
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