Information card for entry 2017244

Structure parameters

• Common name: 2,2'-(diselenodi-<i>o</i>phenylene)dimethanol
• Chemical name: 2,2'-(diselenodi-<i>o</i>phenylene)dimethanol
• Formula: C14 H14 O2 Se2
• Calculated formula: C14 H14 O2 Se2
• SMILES: OCc1c(cccc1)[Se][Se]c1ccccc1CO
• Title of publication: Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide
• Authors of publication: Lari, Alberth; Rominger, Frank; Gleiter, Rolf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o400 - o403
• a: 8.4461 ± 0.0002 Å
• b: 8.9003 ± 0.0003 Å
• c: 9.7427 ± 0.0003 Å
• α: 72.904 ± 0.001°
• β: 78.95 ± 0.001°
• γ: 76.978 ± 0.001°
• Cell volume: 675.81 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes