Information card for entry 1516584

Structure parameters

• Formula: C24 H12 Se2
• Calculated formula: C24 H12 Se2
• SMILES: [se]1c2cccc3c2c2c1cccc2c1cccc2[se]c4c(c12)c3ccc4
• Title of publication: Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.
• Authors of publication: Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3252 - 3255
• a: 28.5952 ± 0.0014 Å
• b: 7.5369 ± 0.0003 Å
• c: 15.6922 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No