Information card for entry 4103111

Structure parameters

• Chemical name: Thiourea - 1,2-bis(2-pyridyl)ethylene (2:1 co-crystal)
• Formula: C14 H18 N6 S2
• Calculated formula: C14 H18 N6 S2
• Title of publication: Thiourea as a Template for Photodimerization of Azastilbenes
• Authors of publication: Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13434 - 13442
• a: 8.1625 ± 0.0007 Å
• b: 22.6 ± 0.002 Å
• c: 9.7018 ± 0.0009 Å
• α: 90°
• β: 107.557 ± 0.001°
• γ: 90°
• Cell volume: 1706.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No