Information card for entry 2219757

Structure parameters

• Chemical name: 6,6'-Dibromo-2,2'-dihexyloxy-1,1'-binaphthalene
• Formula: C32 H36 Br2 O2
• Calculated formula: C32 H36 Br2 O2
• SMILES: Brc1ccc2c(c1)ccc(OCCCCCC)c2c1c(OCCCCCC)ccc2cc(Br)ccc12
• Title of publication: 6,6'-Dibromo-2,2'-dihexyloxy-1,1'-binaphthalene
• Authors of publication: Li, Yu-Feng; Wang, Lin-Tong; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2140
• a: 12.401 ± 0.003 Å
• b: 8.1742 ± 0.0016 Å
• c: 27.396 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2777.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes