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Information card for entry 7234986
Preview
| Coordinates | 7234986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H58 N2 O6 |
|---|---|
| Calculated formula | C76 H58 N2 O6 |
| Title of publication | Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective |
| Authors of publication | Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 39 |
| Pages of publication | 22384 |
| a | 11.7682 ± 0.0009 Å |
| b | 13.1204 ± 0.0011 Å |
| c | 19.9515 ± 0.0016 Å |
| α | 77.621 ± 0.004° |
| β | 77.484 ± 0.003° |
| γ | 85.254 ± 0.004° |
| Cell volume | 2935.3 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223457 (current) | 2019-11-07 | cif/ Adding structures of 7234986, 7234987, 7234988, 7234989 via cif-deposit CGI script. |
7234986.cif |
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Users of the data should acknowledge the original authors of the
structural data.