Information card for entry 7100704

Structure parameters

• Common name: trans -1,4-bis(phenylethynyl) cyclohexane -1,4-diol
• Formula: C22 H20 O2
• Calculated formula: C22 H20 O2
• Title of publication: Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds
• Authors of publication: Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 17.6377 ± 0.0008 Å
• b: 18.8315 ± 0.0009 Å
• c: 23.3591 ± 0.0011 Å
• α: 78.402 ± 0.002°
• β: 88.367 ± 0.002°
• γ: 67.611 ± 0.002°
• Cell volume: 7017.4 ± 0.6 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No