Information card for entry 7243200

Structure parameters

• Formula: C74 H72 O4
• Calculated formula: C74 H72 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: 12.6452 ± 0.0017 Å
• b: 29.23 ± 0.004 Å
• c: 7.4103 ± 0.001 Å
• α: 90°
• β: 98.251 ± 0.006°
• γ: 90°
• Cell volume: 2710.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No