Information card for entry 7220775

Structure parameters

• Common name: 1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene dimethylsulfoxide solvate
• Chemical name: 1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene dimethylsulfoxide solvate
• Formula: C52 H46 O3 S2
• Calculated formula: C52 H46 O3 S2
• Title of publication: Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators
• Authors of publication: Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.7172 ± 0.0007 Å
• b: 9.9498 ± 0.0008 Å
• c: 13.1689 ± 0.0011 Å
• α: 86.067 ± 0.001°
• β: 74.441 ± 0.001°
• γ: 65.912 ± 0.0009°
• Cell volume: 1003.44 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No