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Information card for entry 1557368
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| Coordinates | 1557368.cif |
|---|---|
| Structure factors | 1557368.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Bis(4-methoxyphenyl)naphthalene |
|---|---|
| Formula | C24 H20 O2 |
| Calculated formula | C24 H20 O2 |
| SMILES | c1cccc2c(ccc(c12)c1ccc(cc1)OC)c1ccc(cc1)OC |
| Title of publication | 1,4-Bis(4-methoxyphenyl)naphthalene |
| Authors of publication | Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | x200212 |
| a | 21.55 ± 0.0008 Å |
| b | 6.0366 ± 0.0002 Å |
| c | 27.4915 ± 0.0009 Å |
| α | 90° |
| β | 92.111 ± 0.001° |
| γ | 90° |
| Cell volume | 3573.9 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1554 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.1995 |
| Weighted residual factors for all reflections included in the refinement | 0.2814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248400 (current) | 2020-02-22 | cif/ hkl/ Adding structures of 1557368 via cif-deposit CGI script. |
1557368.cif 1557368.hkl |
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Users of the data should acknowledge the original authors of the
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