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Information card for entry 1545221
Preview
| Coordinates | 1545221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C40 H26 O6 |
| Calculated formula | C40 H26 O6 |
| SMILES | O1c2c(c3c4ccccc4ccc3cc2)c2c(C1)c(c(c1c2c2c(OC1)ccc1c2c2c(cc1)cccc2)C(=O)OC)C(=O)OC |
| Title of publication | Rh-Mediated Enantioselective Synthesis, Crystal Structures, and Photophysical/Chiroptical Properties of Phenanthrenol-Based [9]Helicene-like Molecules. |
| Authors of publication | Yamano, Ryota; Hara, Jun; Murayama, Koichi; Sugiyama, Haruki; Teraoka, Kota; Uekusa, Hidehiro; Kawauchi, Susumu; Shibata, Yu; Tanaka, Ken |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 1 |
| Pages of publication | 42 - 45 |
| a | 7.6621 ± 0.001 Å |
| b | 9.8166 ± 0.0011 Å |
| c | 19.265 ± 0.002 Å |
| α | 90° |
| β | 101.448 ± 0.007° |
| γ | 90° |
| Cell volume | 1420.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.093 |
| Weighted residual factors for significantly intense reflections | 0.25 |
| Weighted residual factors for all reflections included in the refinement | 0.2975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191313 (current) | 2017-02-04 | cif/ Adding structures of 1545221 via cif-deposit CGI script. |
1545221.cif |
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Users of the data should acknowledge the original authors of the
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