Information card for entry 1516581

Structure parameters

• Formula: C24 H12 Se4
• Calculated formula: C24 H12 Se4
• SMILES: [Se]1[Se]c2c3c4c1cccc4c1c4c5c([Se][Se]c4ccc1)cccc5c3ccc2
• 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: 12.7769 ± 0.0007 Å
• b: 20.4663 ± 0.001 Å
• c: 16.3532 ± 0.0009 Å
• α: 90°
• β: 109.347 ± 0.001°
• γ: 90°
• Cell volume: 4034.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No