Information card for entry 2229650

Structure parameters

• Chemical name: 12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)- 4-bromo[2.2]paracyclophane]
• Formula: C36 H36 Br2 O3
• Calculated formula: C36 H36 Br2 O3
• SMILES: c1(cc2ccc1CCc1ccc(c(OCCOCCOc3cc4ccc3CCc3cc(Br)c(cc3)CC4)c1)CC2)Br
• Title of publication: 12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)-4-bromo[2.2]paracyclophane]
• Authors of publication: Hong, Bing; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Zhao, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o950
• a: 8.85 ± 0.004 Å
• b: 12.019 ± 0.005 Å
• c: 28.242 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3004 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes