Information card for entry 2023523

Structure parameters

• Chemical name: Diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate
• Formula: C24 H24 O5
• Calculated formula: C24 H24 O5
• Title of publication: Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate
• Authors of publication: Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 17.229 ± 0.0014 Å
• b: 5.5037 ± 0.0005 Å
• c: 22.114 ± 0.0018 Å
• α: 90°
• β: 92.256 ± 0.002°
• γ: 90°
• Cell volume: 2095.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• 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: 0.1295
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No