Information card for entry 7243198

Structure parameters

• Formula: C88 H102 Cl6 O4
• Calculated formula: C88 H102 Cl6 O4
• Title of publication: Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units
• Authors of publication: Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 30
• Pages of publication: 5157 - 5163
• a: 15.125 ± 0.002 Å
• b: 11.8601 ± 0.0016 Å
• c: 21.373 ± 0.003 Å
• α: 90°
• β: 100.169 ± 0.003°
• γ: 90°
• Cell volume: 3773.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No