Information card for entry 7159630

Structure parameters

• Formula: C25 H21 N2 O P S
• Calculated formula: C25 H21 N2 O P S
• SMILES: S=P(c1ccccc1)(c1ccccc1)C(NC(=O)c1ncccc1)c1ccccc1
• Title of publication: (Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.
• Authors of publication: Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8379 - 8392
• a: 9.8186 ± 0.0003 Å
• b: 10.1013 ± 0.0003 Å
• c: 12.0509 ± 0.0003 Å
• α: 104.546 ± 0.001°
• β: 100.921 ± 0.001°
• γ: 104.439 ± 0.001°
• Cell volume: 1079.09 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No