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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 |
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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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