Information card for entry 4002924

Structure parameters

• Formula: C20 H24 S2 Si2
• Calculated formula: C20 H24 S2 Si2
• Title of publication: Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals
• Authors of publication: Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• a: 7.5473 ± 0.0005 Å
• b: 10.0996 ± 0.0006 Å
• c: 13.5908 ± 0.0009 Å
• α: 83.75 ± 0.001°
• β: 82.174 ± 0.001°
• γ: 88.52 ± 0.001°
• Cell volume: 1020.14 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No