Information card for entry 1507587

Structure parameters

• Formula: C16 H10 I2
• Calculated formula: C16 H10 I2
• SMILES: c1(cc2ccccc2c(c1c1ccccc1)I)I
• Title of publication: Highly Regioselective Synthesis of 1,3-Diiodonaphthalene Derivatives via a Sequential Cascade Iodocyclization.
• Authors of publication: Wang, Li-Jing; Zhu, Hai-Tao; Lu, Lei; Yang, Fang; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 1990 - 1993
• a: 19.513 ± 0.01 Å
• b: 10.041 ± 0.005 Å
• c: 16.438 ± 0.009 Å
• α: 90°
• β: 115.177 ± 0.004°
• γ: 90°
• Cell volume: 2915 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No