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Information card for entry 1554970
Preview
| Coordinates | 1554970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 Cl |
|---|---|
| Calculated formula | C17 H14 Cl |
| SMILES | Clc1cc2CC(=C(c2cc1)c1ccc(cc1)C)C |
| Title of publication | Rh-Catalyzed intramolecular decarbonylative cyclization of ortho-formyl group tethered alkylidenecyclopropanes (ACPs) for the construction of 2-methylindenes |
| Authors of publication | Fan, Xing; Liu, Ruixing; Wei, Yin; Shi, Min |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 15 |
| Pages of publication | 2667 |
| a | 10.013 ± 0.005 Å |
| b | 12.073 ± 0.006 Å |
| c | 12.827 ± 0.006 Å |
| α | 111.893 ± 0.015° |
| β | 107.027 ± 0.017° |
| γ | 93.776 ± 0.019° |
| Cell volume | 1348.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1127 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238244 (current) | 2019-11-24 | cif/ Adding structures of 1554970 via cif-deposit CGI script. |
1554970.cif |
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