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Information card for entry 2008460
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| Coordinates | 2008460.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene |
|---|---|
| Formula | C50 H54 O16 |
| Calculated formula | C50 H54 O16 |
| SMILES | C1COC(O1)c1ccccc1OCCOc1cc(OCCOc2ccccc2C2OCCO2)c(cc1OCCOc1ccccc1C1OCCO1)OCCOc1ccccc1C1OCCO1 |
| Title of publication | Capped-porphyrin precursors |
| Authors of publication | Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 801 - 806 |
| a | 7.685 ± 0.001 Å |
| b | 9.042 ± 0.001 Å |
| c | 32.071 ± 0.003 Å |
| α | 90° |
| β | 93.46 ± 0.01° |
| γ | 90° |
| Cell volume | 2224.5 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.089 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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