Information card for entry 7035356

Structure parameters

• Formula: C18 H16 As2 Br2
• Calculated formula: C18 H16 As2 Br2
• SMILES: C1(=C[As](C)C(=C[As]1C)c1ccc(cc1)Br)c1ccc(Br)cc1
• Title of publication: As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.
• Authors of publication: Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15372 - 15376
• a: 9.9977 ± 0.0004 Å
• b: 18.5103 ± 0.0008 Å
• c: 4.96616 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 919.04 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No