Information card for entry 7221772

Structure parameters

• Formula: C30 H21 O6 P3
• Calculated formula: C30 H21 O6 P3
• SMILES: c12ccc(o1)P(=O)(c1ccc(o1)P(=O)(c1ccc(o1)P2(=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water
• Authors of publication: Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.664 ± 0.003 Å
• b: 12.433 ± 0.005 Å
• c: 13.034 ± 0.005 Å
• α: 90.964 ± 0.006°
• β: 90.323 ± 0.006°
• γ: 106.542 ± 0.006°
• Cell volume: 1345.6 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No