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Information card for entry 4519112
Preview
| Coordinates | 4519112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 Cl O4 |
|---|---|
| Calculated formula | C20 H15 Cl O4 |
| Title of publication | Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives. |
| Authors of publication | Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 42 |
| Pages of publication | 28441 - 28454 |
| a | 10.601 ± 0.003 Å |
| b | 7.695 ± 0.002 Å |
| c | 20.43 ± 0.006 Å |
| α | 90° |
| β | 94.097 ± 0.003° |
| γ | 90° |
| Cell volume | 1662.3 ± 0.8 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 4 |
| 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270252 (current) | 2021-11-03 | cif/ Adding structures of 4519112 via cif-deposit CGI script. |
4519112.cif |
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Users of the data should acknowledge the original authors of the
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