Information card for entry 4034129

Structure parameters

• Formula: C44 H54 Cl2 O2 P2 Pd
• Calculated formula: C44 H54 Cl2 O2 P2 Pd
• SMILES: [Pd]([P@]1(Oc2c(c3c1cccc3)cccc2)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)([P@]1(Oc2c(c3c1cccc3)cccc2)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(Cl)Cl
• Title of publication: Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.
• Authors of publication: Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 13
• Pages of publication: 8423 - 8439
• a: 9.6073 ± 0.0009 Å
• b: 19.9161 ± 0.0018 Å
• c: 11.0248 ± 0.0011 Å
• α: 90°
• β: 102.281 ± 0.002°
• γ: 90°
• Cell volume: 2061.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No