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Information card for entry 7116228
Preview
| Coordinates | 7116228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-2-([1,1'-biphenyl]-2-yl(1H-indol-3-yl)methyl)-4-methoxyphenol |
|---|---|
| Formula | C28 H23 N O2 |
| Calculated formula | C28 H23 N O2 |
| SMILES | Oc1c([C@H](c2c[nH]c3c2cccc3)c2c(cccc2)c2ccccc2)cc(OC)cc1 |
| Title of publication | Chiral Brønsted acid-catalyzed Friedel-Crafts alkylation of electron-rich arenes with in situ-generated ortho-quinone methides: highly enantioselective synthesis of diarylindolylmethanes and triarylmethanes. |
| Authors of publication | Saha, Satyajit; Alamsetti, Santosh Kumar; Schneider, Christoph |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1461 - 1464 |
| a | 9.4323 ± 0.0001 Å |
| b | 10.403 ± 0.0001 Å |
| c | 21.195 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2079.74 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180276 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62. |
7116228.cif |
| 130940 | 2015-02-04 | cif/ Updating files of 7116228 Original log message: Adding full bibliography for 7116228.cif. |
7116228.cif |
| 129309 | 2015-01-03 | cif/ Adding structures of 7116228 via cif-deposit CGI script. |
7116228.cif |
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