Information card for entry 1569423

Structure parameters

• Common name: Phenyl Biaryl Alcohol-2-Methyl (absorbed in crystalline sponge)
• Chemical name: 2',5-dimethyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)
• Formula: C49.98 H38.21 I6 N12 O Zn3
• Calculated formula: C49.9816 H37.9808 I5.9998 N12 O0.9986 Zn2.9999
• Title of publication: A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
• Authors of publication: Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
• Journal of publication: IUCrJ
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 497 - 508
• a: 35.5509 ± 0.0006 Å
• b: 14.9182 ± 0.0003 Å
• c: 30.8851 ± 0.0005 Å
• α: 90°
• β: 102.449 ± 0.002°
• γ: 90°
• Cell volume: 15995 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No