Information card for entry 7134208

Structure parameters

• Common name: BBA-(1-Me)-8,12-OMe (absorbed in crystalline sponge)
• Chemical name: (2',6'-dimethoxy-4-methyl-[1,1'-biphenyl]-2-yl)methanol absored in crystalline sponge
• Formula: C50.41 H41.1 I6 N12 O2.51 Zn3
• Calculated formula: C50.4058 H41.1006 I6 N12 O2.5095 Zn3
• Title of publication: The electrosynthesis of highly encumbered biaryls from aryl <i>o</i>-iodobenzyl ethers by a radical to polar crossover sequence.
• Authors of publication: Pearce, James E.; Hodgson, Jack; Folgueiras-Amador, Ana A; Fish, Johanna A.; Carroll, Robert C.; Coles, Simon J.; Parsons, Philip J.; Brown, Richard C. D.; Harrowven, David C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 20
• Pages of publication: 4042 - 4045
• a: 34.3966 ± 0.0012 Å
• b: 14.9997 ± 0.0004 Å
• c: 31.701 ± 0.002 Å
• α: 90°
• β: 101.865 ± 0.005°
• γ: 90°
• Cell volume: 16006.3 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1386
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.3185
• Weighted residual factors for all reflections included in the refinement: 0.337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No