Information card for entry 7154303

Structure parameters

• Chemical name: 2-(anthracen-9-yl)-1H-inden-3-yl dicyclohexylphosphine
• Formula: C35 H37 P
• Calculated formula: C35 H37 P
• SMILES: c1(c2ccccc2cc2c1cccc2)C1=C(P(C2CCCCC2)C2CCCCC2)c2c(C1)cccc2
• Title of publication: Efficient phosphine ligands for the one-pot palladium-catalyzed borylation/Suzuki-Miyaura cross-coupling reaction.
• Authors of publication: Chen, You; Peng, Hui; Pi, Yun-Xiao; Meng, Tong; Lian, Ze-Yu; Yan, Meng-Qi; Liu, Yan; Liu, Sheng-Hua; Yu, Guang-Ao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3236 - 3242
• a: 23.59 ± 0.003 Å
• b: 12.9016 ± 0.0015 Å
• c: 18.644 ± 0.002 Å
• α: 90°
• β: 98.267 ± 0.002°
• γ: 90°
• Cell volume: 5615.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No