Information card for entry 4003928

Structure parameters

• Formula: C32 H38 N2 O5
• Calculated formula: C32 H38 N2 O5
• Title of publication: Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
• Authors of publication: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 12.7322 ± 0.0011 Å
• b: 14.7905 ± 0.0014 Å
• c: 15.5123 ± 0.0013 Å
• α: 90°
• β: 104.838 ± 0.003°
• γ: 90°
• Cell volume: 2823.8 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No