Information card for entry 4516863

Structure parameters

• Formula: C71 H62 Br4 Cl2 O3 P2 Pd2
• Calculated formula: C71 H62 Br4 Cl2 O3 P2 Pd2
• Title of publication: Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations.
• Authors of publication: Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1930 - 1937
• a: 12.3561 ± 0.0009 Å
• b: 21.5867 ± 0.0016 Å
• c: 25.9119 ± 0.0019 Å
• α: 90°
• β: 97.685 ± 0.001°
• γ: 90°
• Cell volume: 6849.3 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No