Information card for entry 4507383

Structure parameters

• Common name: Tetraphenylhexadiynediol and Dimethylpyridone
• Chemical name: 1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)
• Formula: C44 H40 N2 O4
• Calculated formula: C44 H39.94 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: 10.33 ± 0.001 Å
• b: 9.063 ± 0.001 Å
• c: 20.302 ± 0.002 Å
• α: 90°
• β: 113.699 ± 0.003°
• γ: 90°
• Cell volume: 1740.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No