Information card for entry 7221773

Structure parameters

• Formula: C31 H22 Cl3 O3 P3 S3
• Calculated formula: C31 H22 Cl3 O3 P3 S3
• 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: 11.0433 ± 0.0012 Å
• b: 16.6075 ± 0.0019 Å
• c: 18.186 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3335.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No