Information card for entry 2313013

Structure parameters

• Chemical name: 4-[(2,3,4,5,6-Pentafluorophenoxy)carbonyl]phenyl 4-(tetradecyloxy)benzoate
• Formula: C34 H37 F5 O5
• Calculated formula: C34 H37 F5 O5
• Title of publication: Synthesis and structure of 4-[(2,3,4,5,6-pentafluoro-phen-oxy)carbon-yl]phenyl 4-(tetra-dec-yloxy)benzoate.
• Authors of publication: Ahmed, Khaleel; Devarajegowda, H. C.; Bommalingaiah, B.; Venkatareddy, G. N.; Srinivasa, H. T.; Palakshamurthy, B. S.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 858 - 861
• a: 27.811 ± 0.016 Å
• b: 8.206 ± 0.005 Å
• c: 13.975 ± 0.008 Å
• α: 90°
• β: 103.868 ± 0.014°
• γ: 90°
• Cell volume: 3096 ± 3 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 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: 0.1018
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No