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Information card for entry 7234988
Preview
| Coordinates | 7234988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H50 N2 O2 |
|---|---|
| Calculated formula | C72 H50 N2 O2 |
| 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 | 9.8397 ± 0.0015 Å |
| b | 38.561 ± 0.006 Å |
| c | 14.122 ± 0.002 Å |
| α | 90° |
| β | 100.382 ± 0.008° |
| γ | 90° |
| Cell volume | 5270.6 ± 1.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1486 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.204 |
| Weighted residual factors for all reflections included in the refinement | 0.2574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| 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. |
7234988.cif |
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Users of the data should acknowledge the original authors of the
structural data.