Information card for entry 7025032

Structure parameters

• Formula: C27 H28 As I2 P Pd
• Calculated formula: C27 H28 As I2 P Pd
• SMILES: [Pd]1([As@]2(c3ccccc3)[C@H]3C(=C(C)[C@@H]2[C@@H]([P]1(c1ccccc1)c1ccccc1)[C@H]3C)C)(I)I
• Title of publication: Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole.
• Authors of publication: Ma, Mengtao; Lu, Ruifeng; Pullarkat, Sumod A.; Deng, Weiqiao; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5453 - 5461
• a: 9.0804 ± 0.0005 Å
• b: 9.1106 ± 0.0009 Å
• c: 9.3713 ± 0.0005 Å
• α: 100.727 ± 0.004°
• β: 110.589 ± 0.003°
• γ: 98.244 ± 0.004°
• Cell volume: 694.44 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No