Information card for entry 7110391

Structure parameters

• Chemical name: 1,3,5,7-tetrakis(4-ethynylphenyl)adamantane/benzene [4:1] solvate
• Formula: C43.5 H33.5
• Calculated formula: C43.5 H33.5
• Title of publication: Weak hydrogen bonding between acetylenic groups: the formation of diamondoid nets in the crystal structure of tetrakis(4-ethynylphenyl)methane†
• Authors of publication: Galoppini, Elena; Gilardi, Richard
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 173
• a: 48.46 ± 0.004 Å
• b: 10.5467 ± 0.0013 Å
• c: 28.759 ± 0.003 Å
• α: 90°
• β: 121.896 ± 0.004°
• γ: 90°
• Cell volume: 12479 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1141
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.1115
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No