Information card for entry 7016321

Structure parameters

• Formula: C17 H25 Cl F3 O5 S Sb
• Calculated formula: C17 H25 Cl F3 O5 S Sb
• SMILES: [Sb]12(Cl)[O](C(C)(C)C)Cc3c2c(C[O]1C(C)(C)C)ccc3.S(=O)(=O)(C(F)(F)F)[O-]
• 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: 9.305 ± 0.001 Å
• b: 12.446 ± 0.0012 Å
• c: 19.4031 ± 0.0014 Å
• α: 90°
• β: 104.615 ± 0.006°
• γ: 90°
• Cell volume: 2174.4 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No