Information card for entry 7016325

Structure parameters

• Formula: C26 H29 As Cl2 O2
• Calculated formula: C26 H29 As Cl2 O2
• SMILES: [As](Cl)(Cl)c1c(COc2c(cc(cc2C)C)C)cccc1COc1c(cc(cc1C)C)C
• 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; R°užička, 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: 8.0719 ± 0.0006 Å
• b: 11.9821 ± 0.0009 Å
• c: 13.1989 ± 0.0006 Å
• α: 80.579 ± 0.005°
• β: 79.169 ± 0.004°
• γ: 79.737 ± 0.007°
• Cell volume: 1222.52 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No