Information card for entry 1507246

Structure parameters

• Formula: C34 H36 Cl4 O8
• Calculated formula: C34 H36 Cl4 O8
• SMILES: O(c1c2c(c(OC)cc1)c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c1c1c(OC)ccc(OC)c21)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene.
• Authors of publication: Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 823 - 826
• a: 9.46 ± 0.002 Å
• b: 12.892 ± 0.003 Å
• c: 15.324 ± 0.003 Å
• α: 90.929 ± 0.005°
• β: 104.42 ± 0.005°
• γ: 110.95 ± 0.004°
• Cell volume: 1678.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No