Information card for entry 4513553

Structure parameters

• Formula: C48 H72 O12 P4 Si
• Calculated formula: C48 H72 O12 P4 Si
• SMILES: P(=O)(OC(C)C)(OC(C)C)c1ccc([Si](c2ccc(P(=O)(OC(C)C)OC(C)C)cc2)(c2ccc(P(=O)(OC(C)C)OC(C)C)cc2)c2ccc(P(=O)(OC(C)C)OC(C)C)cc2)cc1
• Title of publication: Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry
• Authors of publication: Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4925
• a: 17.481 ± 0.003 Å
• b: 17.584 ± 0.007 Å
• c: 19.029 ± 0.003 Å
• α: 90°
• β: 113.18 ± 0.01°
• γ: 90°
• Cell volume: 5377 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No