Information card for entry 1569549

Structure parameters

• Formula: C30 H50 Cl2 F2 O4 P2
• Calculated formula: C30 H50 Cl2 F2 O4 P2
• SMILES: Fc1cc2[P+](C(C)C)(C3=C([P+](c4c3ccc(F)c4)(C(C)C)C(C)C)c2cc1)C(C)C.[Cl-].CO.OC.[Cl-].CO.CO
• Title of publication: Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.
• Authors of publication: Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8583 - 8591
• a: 7.68726 ± 0.00003 Å
• b: 16.93199 ± 0.00008 Å
• c: 13.38321 ± 0.00007 Å
• α: 90°
• β: 94.5657 ± 0.0004°
• γ: 90°
• Cell volume: 1736.44 ± 0.014 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No