Information card for entry 1559030

Structure parameters

• Formula: C19 H21 N3 O S2
• Calculated formula: C19 H21 N3 O S2
• Title of publication: Photoisomerization of Dicyanorhodanine-Functionalized Thiophenes
• Authors of publication: Castellano, Ronald K.; Kornman, Cory T.; Li, Lei; Weldeab, Asmerom O.; Ghiviriga, Ion; Abboud, Khalil A.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.387 ± 0.003 Å
• b: 5.4878 ± 0.0011 Å
• c: 24.641 ± 0.005 Å
• α: 90°
• β: 90.13 ± 0.006°
• γ: 90°
• Cell volume: 1810.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No