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Information card for entry 7121846
Preview
| Coordinates | 7121846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 N2 |
|---|---|
| Calculated formula | C20 H20 N2 |
| Title of publication | Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades. |
| Authors of publication | Liu, Siyuan; Qu, Jingping; Wang, Baomin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 57 |
| Pages of publication | 7928 - 7931 |
| a | 9.4242 ± 0.0004 Å |
| b | 7.9644 ± 0.0003 Å |
| c | 19.9745 ± 0.0008 Å |
| α | 90° |
| β | 99.582 ± 0.002° |
| γ | 90° |
| Cell volume | 1478.33 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121846.cif |
| 228264 | 2019-11-17 | cif/ Updating files of 7121845, 7121846, 7121847 Original log message: Adding full bibliography for 7121845--7121847.cif. |
7121846.cif |
| 208425 | 2018-06-16 | cif/ Adding structures of 7121845, 7121846, 7121847 via cif-deposit CGI script. |
7121846.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.