Information card for entry 4087873

Structure parameters

• Formula: C15 H29 I N4 O2 Pd S
• Calculated formula: C15 H29 I N4 O2 Pd S
• SMILES: [Pd]1(I)([N](C)(C)CC[N]1(C)C)c1cc(NC(=O)N)ccc1.S(=O)(C)C
• Title of publication: Highly Enantioselective Pd-Catalyzed Synthesis of P-Stereogenic Supramolecular Phosphines, Self-Assembly, and Implication
• Authors of publication: Koshti, Vijay S.; Mote, Nilesh R.; Gonnade, Rajesh G.; Chikkali, Samir H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4802
• a: 15.7782 ± 0.0004 Å
• b: 8.3688 ± 0.0002 Å
• c: 17.7446 ± 0.0004 Å
• α: 90°
• β: 110.066 ± 0.002°
• γ: 90°
• Cell volume: 2200.85 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0657
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No