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Information card for entry 1553106
Preview
| Coordinates | 1553106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H30 Br N O5 |
|---|---|
| Calculated formula | C33 H30 Br N O5 |
| Title of publication | Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel‒Crafts alkylation reaction of pyrroles |
| Authors of publication | Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 476 |
| a | 15.713 ± 0.012 Å |
| b | 28.08 ± 0.02 Å |
| c | 28.507 ± 0.018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12578 ± 15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 23 |
| Hermann-Mauguin space group symbol | I 2 2 2 |
| Hall space group symbol | I 2 2 |
| Residual factor for all reflections | 0.1326 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233602 (current) | 2019-11-23 | cif/ Adding structures of 1553106 via cif-deposit CGI script. |
1553106.cif |
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Users of the data should acknowledge the original authors of the
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