Information card for entry 7016323

Structure parameters

• Formula: C40 H52 As2 Cl2 O8
• Calculated formula: C40 H47 As2 Cl2 O8
• SMILES: [As](Cl)(c1c(COC)cccc1C1OC=1)c1c(COC)cccc1COC.[As](Cl)(c1c(cccc1COC)COC)c1c(cccc1COC)COC
• Title of publication: OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8922 - 8934
• a: 17.037 ± 0.0005 Å
• b: 7.618 ± 0.002 Å
• c: 31.539 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4093.4 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No