Information card for entry 2239509

Structure parameters

• Chemical name: 6-Cyanonaphthalen-2-yl 4-hexylbenzoate
• Formula: C24 H23 N O2
• Calculated formula: C24 H23 N O2
• SMILES: CCCCCCc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C#N
• Title of publication: 6-Cyanonaphthalen-2-yl 4-hexylbenzoate
• Authors of publication: Rahman, Md. Lutfor; Srinivasa, H. T.; Mashitah, Mohd. Yusoff; Kwong, Huey Chong; Quah, Ching Kheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o620
• a: 14.4712 ± 0.0002 Å
• b: 9.5592 ± 0.0002 Å
• c: 29.5386 ± 0.0005 Å
• α: 90°
• β: 98.898 ± 0.001°
• γ: 90°
• Cell volume: 4036.99 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes