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Information card for entry 4124619
Preview
| Coordinates | 4124619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 N O2 |
|---|---|
| Calculated formula | C24 H23 N O2 |
| SMILES | O=C(OC(C)C)[C@]1(c2ccccc2)[C@H](Nc2c1cccc2)c1ccccc1.O=C(OC(C)C)[C@]1(c2ccccc2)c2c(N[C@H]1c1ccccc1)cccc2 |
| Title of publication | Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process. |
| Authors of publication | Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 41 |
| Pages of publication | 13414 - 13424 |
| a | 9.8715 ± 0.0002 Å |
| b | 15.2884 ± 0.0003 Å |
| c | 25.8224 ± 0.0005 Å |
| α | 90° |
| β | 94.7782 ± 0.0006° |
| γ | 90° |
| Cell volume | 3883.56 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections | 0.1136 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9373 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4124619.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4124619.cif |
| 170068 | 2015-11-06 | cif/ Updating files of 4124616, 4124617, 4124618, 4124619 Original log message: Adding full bibliography for 4124616--4124619.cif. |
4124619.cif |
| 160580 | 2015-10-07 | cif/ Adding structures of 4124616, 4124617, 4124618, 4124619 via cif-deposit CGI script. |
4124619.cif |
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Users of the data should acknowledge the original authors of the
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