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Information card for entry 1546558
Preview
| Coordinates | 1546558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 I2 |
|---|---|
| Calculated formula | C20 H26 I2 |
| SMILES | I/C(=C\1Cc2ccccc2CC1=C(I)/C(C)(C)C)C(C)(C)C |
| Title of publication | Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis |
| Authors of publication | Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 6.5861 ± 0.0014 Å |
| b | 11.262 ± 0.003 Å |
| c | 27.326 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2026.8 ± 0.8 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198863 (current) | 2017-07-21 | cif/ Adding structures of 1546558 via cif-deposit CGI script. |
1546558.cif |
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