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Information card for entry 7240276
Preview
| Coordinates | 7240276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 N2 O2 |
|---|---|
| Calculated formula | C12 H14 N2 O2 |
| Title of publication | Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight |
| Authors of publication | Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 30.5126 ± 0.001 Å |
| b | 9.6815 ± 0.0003 Å |
| c | 7.3786 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2179.7 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250476 (current) | 2020-04-08 | cif/ Adding structures of 7240275, 7240276, 7240277 via cif-deposit CGI script. |
7240276.cif |
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Users of the data should acknowledge the original authors of the
structural data.