Information card for entry 4002883

Structure parameters

• Formula: C42 H54 O6
• Calculated formula: C42 H54 O6
• Title of publication: Visible Light Mediated Photopolymerization in Single Crystals: Photomechanical Bending and Thermomechanical Unbending
• Authors of publication: Samanta, Ranita; Ghosh, Subhrokoli; Devarapalli, Ramesh; Reddy, C. Malla
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 577
• a: 20.916 ± 0.004 Å
• b: 4.8573 ± 0.0007 Å
• c: 19.218 ± 0.004 Å
• α: 90°
• β: 116.1 ± 0.02°
• γ: 90°
• Cell volume: 1753.4 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.1352
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No