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Information card for entry 1543261
Preview
| Coordinates | 1543261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 F N2 O4 S |
|---|---|
| Calculated formula | C26 H21 F N2 O4 S |
| SMILES | S(=O)(=O)(NC(=O)C(=C1\c2cc(F)ccc2N(C1=O)CC=C)\c1ccccc1)c1ccc(cc1)C |
| Title of publication | Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles. |
| Authors of publication | Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 2435 - 2438 |
| a | 9.8714 ± 0.0007 Å |
| b | 11.0898 ± 0.0008 Å |
| c | 12.4017 ± 0.0006 Å |
| α | 75.477 ± 0.005° |
| β | 84.873 ± 0.005° |
| γ | 77.924 ± 0.006° |
| Cell volume | 1284.2 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0987 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1543261.cif |
| 184960 | 2016-08-05 | cif/ Updating files of 1543261, 1543262, 1543263, 1543264 Original log message: Adding full bibliography for 1543261--1543264.cif. |
1543261.cif |
| 182675 | 2016-05-06 | cif/ Adding structures of 1543261, 1543262, 1543263, 1543264 via cif-deposit CGI script. |
1543261.cif |
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Users of the data should acknowledge the original authors of the
structural data.