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Information card for entry 7159706
Preview
| Coordinates | 7159706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C1.063 H1.875 N0.125 O0.125 |
|---|---|
| Calculated formula | C1.0625 H1.875 N0.125 O0.125 |
| Title of publication | Bispidine as a promising scaffold for designing molecular machines. |
| Authors of publication | Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 45 |
| Pages of publication | 9054 - 9060 |
| a | 17.3542 ± 0.0007 Å |
| b | 22.6322 ± 0.0008 Å |
| c | 8.8875 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3490.7 ± 0.2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0518 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288047 (current) | 2023-12-05 | cif/ Adding structures of 7159706 via cif-deposit CGI script. |
7159706.cif |
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Users of the data should acknowledge the original authors of the
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