Information card for entry 7001237

Structure parameters

• Formula: C33 H40 Cl2 O3 P2 Pd
• Calculated formula: C33 H40 Cl2 O3 P2 Pd
• Title of publication: Controllable synthesis of P-chiral 1,2- and 1,3-diphosphines via asymmetric Diels‒Alder reactions involving functionalized allylic phosphines as dienophiles
• Authors of publication: Yuan, Mingjun; Pullarkat, Sumod A.; Yeong, Crystal Huixian; Li, Yongxin; Krishnan, Deepa; Leung, Pak-Hing
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3668 - 3670
• a: 9.9121 ± 0.0003 Å
• b: 15.1031 ± 0.0004 Å
• c: 22.4411 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359.51 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No