Information card for entry 4026130

Structure parameters

• Formula: C24 H40 B2 O4 P2
• Calculated formula: C24 H40 B2 O4 P2
• SMILES: [P@]1(CCOCCOCCOCCOCC[P@@](CC1)(c1ccccc1)[BH3])(c1ccccc1)[BH3]
• Title of publication: Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes
• Authors of publication: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1795 - 1803
• a: 10.0669 ± 0.0014 Å
• b: 25.664 ± 0.004 Å
• c: 10.9208 ± 0.0013 Å
• α: 90°
• β: 111.079 ± 0.006°
• γ: 90°
• Cell volume: 2632.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No