Information card for entry 7020686

Structure parameters

• Common name: 1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane
• Chemical name: 1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane
• Formula: C12 H24 O4 Se2
• Calculated formula: C12 H24 O4 Se2
• SMILES: C1COCCOCC[Se]CCOCCOCC[Se]1
• Title of publication: s-Block chalcogenoether chemistry–thio- and selenoether coordination with hard Group 2 ions.
• Authors of publication: Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 89 - 99
• a: 6.933 ± 0.004 Å
• b: 13.419 ± 0.007 Å
• c: 8.573 ± 0.004 Å
• α: 90°
• β: 102.489 ± 0.007°
• γ: 90°
• Cell volume: 778.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No