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Information card for entry 7121845
Preview
| Coordinates | 7121845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H18 N2 |
|---|---|
| Calculated formula | C19 H18 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 | 10.619 ± 0.002 Å |
| b | 9.676 ± 0.002 Å |
| c | 28.661 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2944.9 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7121845.cif |
| 228264 | 2019-11-17 | cif/ Updating files of 7121845, 7121846, 7121847 Original log message: Adding full bibliography for 7121845--7121847.cif. |
7121845.cif |
| 208425 | 2018-06-16 | cif/ Adding structures of 7121845, 7121846, 7121847 via cif-deposit CGI script. |
7121845.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.