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Information card for entry 7225278
Preview
| Coordinates | 7225278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H64 Br3 Cl3 O9 |
|---|---|
| Calculated formula | C50.41 H40 Br3 Cl3 O4.53 |
| Title of publication | Synthesis, structural properties, electrophilic substitution reactions and DFT computational studies of calix[3]benzofurans |
| Authors of publication | Islam, Md. Monarul; Akther, Thamina; Ikejiri, Yusuke; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris Elias; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 15.4391 ± 0.0012 Å |
| b | 15.4391 ± 0.0012 Å |
| c | 31.782 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6560.8 ± 1.1 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1143 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183026 (current) | 2016-05-19 | cif/ Adding structures of 7225278, 7225279 via cif-deposit CGI script. |
7225278.cif |
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Users of the data should acknowledge the original authors of the
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