Information card for entry 4003935

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: 10.2757 ± 0.0005 Å
• b: 10.2757 ± 0.0005 Å
• c: 44.5409 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4073 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No