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Information card for entry 2022808
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| Coordinates | 2022808.cif |
|---|---|
| Structure factors | 2022808.hkl |
| Original IUCr paper | HTML |
| Chemical name | Naphthalene-2,3-diyl bis(3-benzyloxy)benzoate |
|---|---|
| Formula | C38 H28 O6 |
| Calculated formula | C38 H28 O6 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis(3-benzyloxy)benzoate |
| Authors of publication | Anil Kumar, H.; Selvanandan, S.; Srinivasa, H. T.; Venkateshappa, G.; Palakshamurthy, B. S. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 9.5219 ± 0.0002 Å |
| b | 10.101 ± 0.0002 Å |
| c | 30.705 ± 0.0008 Å |
| α | 90° |
| β | 96.666 ± 0.001° |
| γ | 90° |
| Cell volume | 2933.26 ± 0.11 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284813 (current) | 2023-07-05 | cif/ hkl/ Adding structures of 2022808 via cif-deposit CGI script. |
2022808.cif 2022808.hkl |
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Users of the data should acknowledge the original authors of the
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