Information card for entry 4301464

Structure parameters

• Formula: C29 H53 F3 N2 O4 P S Te
• Calculated formula: C29 H53 F3 N2 O4 P S Te
• SMILES: [Te]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)N=CC=[N]1C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• Title of publication: Donor-Acceptor Chemistry at Heavy Chalcogen Centers
• Authors of publication: Jason L. Dutton; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1722 - 1730
• a: 14.836 ± 0.003 Å
• b: 22.948 ± 0.005 Å
• c: 10.459 ± 0.002 Å
• α: 90°
• β: 97.67 ± 0.03°
• γ: 90°
• Cell volume: 3529 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No