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Information card for entry 7121827
Preview
| Coordinates | 7121827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H29 N7 O2 |
|---|---|
| Calculated formula | C27 H29 N7 O2 |
| Title of publication | Discovery of a tetrazolyl β-carboline with <i>in vitro</i> and <i>in vivo</i> osteoprotective activity under estrogen-deficient conditions. |
| Authors of publication | Karvande, Anirudha; Khan, Shahnawaz; Khan, Irfan; Singh, Deepti; Khedgikar, Vikram; Kushwaha, Priyanka; Ahmad, Naseer; Kothari, Priyanka; Dhasmana, Anupam; Kant, Ruchir; Trivedi, Ritu; Chauhan, Prem M. S. |
| Journal of publication | MedChemComm |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 1213 - 1225 |
| a | 9.814 ± 0.002 Å |
| b | 9.916 ± 0.002 Å |
| c | 25.156 ± 0.005 Å |
| α | 90° |
| β | 90.477 ± 0.004° |
| γ | 90° |
| Cell volume | 2448 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1147 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230136 (current) | 2019-11-17 | cif/ Updating files of 7121827 Original log message: Adding full bibliography for 7121827.cif. |
7121827.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
7121827.cif |
| 208294 | 2018-06-12 | cif/ Adding structures of 7121827 via cif-deposit CGI script. |
7121827.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.