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Information card for entry 1552964
Preview
| Coordinates | 1552964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 O3 |
|---|---|
| Calculated formula | C21 H20 O3 |
| Title of publication | Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2 |
| Authors of publication | Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | 275 |
| a | 11.2047 ± 0.0016 Å |
| b | 12.2098 ± 0.0018 Å |
| c | 13.3534 ± 0.0017 Å |
| α | 97.661 ± 0.01° |
| β | 96.853 ± 0.008° |
| γ | 99.139 ± 0.009° |
| Cell volume | 1769 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.2013 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232639 (current) | 2019-11-23 | cif/ Adding structures of 1552964, 1552965 via cif-deposit CGI script. |
1552964.cif |
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Users of the data should acknowledge the original authors of the
structural data.