Information card for entry 2104524

Structure parameters

• Chemical name: 1,3,5-tris(2-(1-adamantyl)ethynyl)benzene
• Formula: C42 H48
• Calculated formula: C42 H48
• SMILES: c1(cc(cc(c1)C#CC12CC3CC(CC(C1)C3)C2)C#CC12CC3CC(CC(C1)C3)C2)C#CC12CC3CC(CC(C1)C3)C2
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 25.898 ± 0.003 Å
• b: 74.105 ± 0.006 Å
• c: 6.853 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13152 ± 6 ų
• Cell temperature: 183 ± 2 K
• Number of distinct elements: 2
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No