Information card for entry 7117752

Structure parameters

• Common name: selenophenol
• Chemical name: benzene selenol
• Formula: C6 H6 Se
• Calculated formula: C6 H6 Se
• SMILES: c1(ccccc1)[SeH]
• Title of publication: Organic alloys of room temperature liquids thiophenol and selenophenol
• Authors of publication: Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14255
• a: 7.329 ± 0.004 Å
• b: 11.226 ± 0.005 Å
• c: 14.422 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1186.6 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P n a b
• Hall space group symbol: -P 2bc 2n
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.345
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No