Information card for entry 4507388

Structure parameters

• Common name: Tetraphenylhexadiynediol and Methylpyridone
• Chemical name: 1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone
• Formula: C42 H36 N2 O4
• Calculated formula: C42 H36.012 N2 O4
• Title of publication: Unexpected Molecular Flip in Solid-State Photodimerization
• Authors of publication: Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 936
• a: 8.465 ± 0.02 Å
• b: 10.85 ± 0.03 Å
• c: 11.36 ± 0.02 Å
• α: 64.56 ± 0.1°
• β: 80.82 ± 0.07°
• γ: 68.92 ± 0.06°
• Cell volume: 879 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1003
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No