Information card for entry 7245287

Structure parameters

• Formula: C74 H70 O12
• Calculated formula: C74 H70 O12
• Title of publication: Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene
• Authors of publication: Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 22060 - 22063
• a: 15.047 ± 0.004 Å
• b: 8.2362 ± 0.0019 Å
• c: 26.661 ± 0.006 Å
• α: 90°
• β: 104.502 ± 0.003°
• γ: 90°
• Cell volume: 3198.8 ± 1.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No