Information card for entry 2226697

Structure parameters

• Chemical name: 1,8-Bis(benzyloxy)-3,6-diiodonaphthalene
• Formula: C24 H18 I2 O2
• Calculated formula: C24 H18 I2 O2
• SMILES: Ic1cc2c(c(OCc3ccccc3)c1)c(OCc1ccccc1)cc(I)c2
• Title of publication: 1,8-Bis(benzyloxy)-3,6-diiodonaphthalene
• Authors of publication: Liu, Ying; Wang, Leyong; Wang, Jingjing; Liu, Li; Teng, Mingyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1577
• a: 31.222 ± 0.004 Å
• b: 5.5684 ± 0.0008 Å
• c: 27.445 ± 0.004 Å
• α: 90°
• β: 118.68 ± 0.002°
• γ: 90°
• Cell volume: 4186.1 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes