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Information card for entry 1555329
Preview
| Coordinates | 1555329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 Cl O2 |
|---|---|
| Calculated formula | C17 H13 Cl O2 |
| SMILES | Clc1ccc(cc1)/C=C\1C(=O)c2c(C(O)C1)cccc2 |
| Title of publication | One-Pot Catalysis Using a Chiral Iridium Complex/Brønsted Base: Catalytic Asymmetric Synthesis of Catalponol. |
| Authors of publication | Suzuki, Takeyuki; Ismiyarto, ?; Ishizaka, Yuka; Zhou, Da-Yang; Asano, Kaori; Sasai, Hiroaki |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5176 - 5179 |
| a | 24.4402 ± 0.0007 Å |
| b | 52.631 ± 0.004 Å |
| c | 4.31801 ± 0.00013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5554.3 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238492 (current) | 2019-11-24 | cif/ Adding structures of 1555329 via cif-deposit CGI script. |
1555329.cif |
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