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Information card for entry 7250457
Preview
| Coordinates | 7250457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N O5 |
|---|---|
| Calculated formula | C14 H19 N O5 |
| Title of publication | A Hydrogen-Bonded Organic Framework with Ultramicroporous Channels based on Proline and DL-2-phenoxypropionic acid |
| Authors of publication | Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 62.932 ± 0.002 Å |
| b | 62.932 ± 0.002 Å |
| c | 5.69893 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 19546.4 ± 1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1305 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.1496 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299853 (current) | 2025-05-29 | cif/ Adding structures of 7250457, 7250458 via cif-deposit CGI script. |
7250457.cif |
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Users of the data should acknowledge the original authors of the
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