Information card for entry 4034309

Structure parameters

• Formula: C74 H76 O16
• Calculated formula: C74 H76 O16
• Title of publication: Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.
• Authors of publication: Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5109 - 5117
• a: 20.2602 ± 0.0009 Å
• b: 18.4745 ± 0.001 Å
• c: 9.7083 ± 0.0005 Å
• α: 90°
• β: 103.791 ± 0.004°
• γ: 90°
• Cell volume: 3529 ± 0.3 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: 0.1173
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No