Information card for entry 4003931

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: 13.2291 ± 0.0005 Å
• b: 18.6767 ± 0.0005 Å
• c: 12.1208 ± 0.0003 Å
• α: 90°
• β: 108.813 ± 0.001°
• γ: 90°
• Cell volume: 2834.77 ± 0.15 ų
• Cell temperature: 211 K
• Ambient diffraction temperature: 211 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: 0.0883
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No