Information card for entry 4103105

Structure parameters

• Chemical name: Thiourea - 1-(4-pyridyl)-2-(4-methoxyphenyl)ethylene (2:2 co-crystal)
• Formula: C30 H34 N6 O2 S2
• Calculated formula: C30 H34 N6 O2 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: 8.4917 ± 0.0009 Å
• b: 11.8893 ± 0.0013 Å
• c: 15.9374 ± 0.0017 Å
• α: 83.888 ± 0.002°
• β: 82.103 ± 0.002°
• γ: 72.755 ± 0.002°
• Cell volume: 1518.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No