Information card for entry 1554089

Structure parameters

• Formula: C20 H26 Cl6 O4 Sb
• Calculated formula: C20 H26 Cl6 O4 Sb
• Title of publication: Interplay between Entropy and Enthalpy in (Intramolecular) Cyclophane-Like Folding versus (Intermolecular) Dimerization of Diarylalkane Cation Radicals
• Authors of publication: Navale, Tushar S.; Talipov, Marat R.; Shukla, Ruchi; Rathore, Rajendra
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 35
• Pages of publication: 19558
• a: 7.1982 ± 0.0014 Å
• b: 9.042 ± 0.0018 Å
• c: 10.639 ± 0.002 Å
• α: 93.52 ± 0.03°
• β: 96.36 ± 0.03°
• γ: 111.59 ± 0.03°
• Cell volume: 636 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No