Information card for entry 1555243

Structure parameters

• Formula: C26 H18 Br2 O2
• Calculated formula: C26 H18 Br2 O2
• SMILES: Brc1c2c3c(Br)cccc3c3cccc(OC)c3c3c(c2ccc1)cccc3OC
• Title of publication: Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.
• Authors of publication: Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4296 - 4299
• a: 9.5385 ± 0.0015 Å
• b: 16.362 ± 0.003 Å
• c: 14.106 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2201.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No