Information card for entry 2023250

Structure parameters

• Chemical name: 4'-Cyano-[1,1'-biphenyl]-4-yl 3-(benzyloxy)benzoate
• Formula: C27 H19 N O3
• Calculated formula: C27 H19 N O3
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 4′-cyano-[1,1′-biphenyl]-4-yl 3-(benzyloxy)benzoate
• Authors of publication: Harish Kumar, M.; Vinduvahini, M.; Devarajegowda, H. C.; Srinivasa, H. T.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 9.4289 ± 0.001 Å
• b: 9.6739 ± 0.0009 Å
• c: 11.4872 ± 0.0011 Å
• α: 90°
• β: 97.668 ± 0.004°
• γ: 90°
• Cell volume: 1038.43 ± 0.18 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No