Information card for entry 2008460

Structure parameters

• 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 ų
• 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