Information card for entry 1569416

Structure parameters

• Common name: Phenyl Biaryl Alcohol-12-Methoxy (absorbed in crystalline sponge)
• Chemical name: 2'-methoxy-6'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)
• Formula: C45.57 H34.77 I6 N12 O1.2 Zn3
• Calculated formula: C45.5678 H34.7678 I6.0014 N12 O1.1954 Zn3.0007
• 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: 35.3379 ± 0.0007 Å
• b: 14.8649 ± 0.0002 Å
• c: 31.6259 ± 0.0007 Å
• α: 90°
• β: 102.979 ± 0.002°
• γ: 90°
• Cell volume: 16188.5 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No