Information card for entry 1550903

Structure parameters

• Formula: C101.5 H73.5 Cl7 O0.5 P4 Pd2
• Calculated formula: C101.5 H73.5 Cl7 O0.5 P4 Pd2
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccc(cc2)c2cccc3ccc4cccc(c4c23)c2ccc([P]([Pd](Cl)(Cl)[P](c3ccc(cc3)c3cccc4ccc5cccc(c5c34)c3ccc([P]1(c1ccccc1)c1ccccc1)cc3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc2)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.OC
• Title of publication: Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes
• Authors of publication: Li, Yuanming; Yagi, Akiko; Itami, Kenichiro
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.5697 ± 0.0002 Å
• b: 14.7169 ± 0.0002 Å
• c: 23.758 ± 0.0004 Å
• α: 92.522 ± 0.001°
• β: 105.129 ± 0.002°
• γ: 116.309 ± 0.002°
• Cell volume: 4332.56 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No