Information card for entry 4034128

Structure parameters

• Formula: C48 H66 Cl2 O2 P2 Pd
• Calculated formula: C48 H66 Cl2 O2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P@](c1ccccc1c1ccccc1OC)([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)C)[P@](c1ccccc1c1ccccc1OC)([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)C
• 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: 12.7166 ± 0.0013 Å
• b: 25.022 ± 0.002 Å
• c: 15.1067 ± 0.0015 Å
• α: 90°
• β: 90.917 ± 0.002°
• γ: 90°
• Cell volume: 4806.3 ± 0.8 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: 0.1902
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No