Information card for entry 7016326

Structure parameters

• Formula: C15 H22 Bi Cl F3 N O4 S
• Calculated formula: C15 H22 Bi Cl F3 N O4 S
• SMILES: [Bi]12(Cl)([O](Cc3c1c(C[N]2(C)C)ccc3)C(C)(C)C)OS(=O)(=O)C(F)(F)F
• 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: 7.7441 ± 0.0005 Å
• b: 11.032 ± 0.0008 Å
• c: 12.579 ± 0.0008 Å
• α: 74.564 ± 0.005°
• β: 85.146 ± 0.005°
• γ: 74.351 ± 0.005°
• Cell volume: 997.4 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No