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Information card for entry 7226986
Preview
| Coordinates | 7226986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 Cl O |
|---|---|
| Calculated formula | C22 H14 Cl O |
| SMILES | Clc1c(C2c3c(C4=C2c2c(cccc2)CO4)cccc3)cccc1 |
| Title of publication | Synthesis of dihydroindeno[1,2-c]isochromene via cascade cyclization and Friedel-Crafts reaction |
| Authors of publication | Saikia, Anil; Ghosh, Priya; Deka, Manash Jyoti; Borah, Madhurjya |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 17.382 ± 0.019 Å |
| b | 6.286 ± 0.007 Å |
| c | 17.04 ± 0.018 Å |
| α | 90° |
| β | 117.003 ± 0.018° |
| γ | 90° |
| Cell volume | 1659 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1508 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187782 (current) | 2016-11-03 | cif/ Adding structures of 7226986 via cif-deposit CGI script. |
7226986.cif |
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Users of the data should acknowledge the original authors of the
structural data.