Information card for entry 7243199

Structure parameters

• Formula: C75 H73 Cl3 O4
• Calculated formula: C75 H73 Cl3 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: 14.0848 ± 0.0008 Å
• b: 13.6156 ± 0.0008 Å
• c: 15.0281 ± 0.0009 Å
• α: 90°
• β: 92.682 ± 0.002°
• γ: 90°
• Cell volume: 2878.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No