Information card for entry 1569550

Structure parameters

• Formula: C52 H74 Cl8 O3 P4
• Calculated formula: C52 H74 Cl8 O3 P4
• 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: 11.9371 ± 0.0008 Å
• b: 15.3069 ± 0.0007 Å
• c: 17.4558 ± 0.0006 Å
• α: 78.259 ± 0.004°
• β: 76.68 ± 0.004°
• γ: 69.65 ± 0.005°
• Cell volume: 2883.3 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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: 0.1079
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No