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Information card for entry 1531045
Preview
| Coordinates | 1531045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38.5 H29 Cl O4 |
|---|---|
| Calculated formula | C38.5 H29 Cl O4 |
| Title of publication | Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones |
| Authors of publication | Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7319 |
| a | 16.8074 ± 0.0019 Å |
| b | 10.9989 ± 0.0012 Å |
| c | 16.649 ± 0.002 Å |
| α | 90° |
| β | 92.018 ± 0.003° |
| γ | 90° |
| Cell volume | 3075.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1531045.cif |
| 170977 | 2015-12-09 | cif/ Updating files of 1531044, 1531045, 1531046 Original log message: Adding full bibliography for 1531044--1531046.cif. |
1531045.cif |
| 156340 | 2015-09-16 | cif/ Adding structures of 1531044, 1531045, 1531046 via cif-deposit CGI script. |
1531045.cif |
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Users of the data should acknowledge the original authors of the
structural data.