Information card for entry 2239590

Structure parameters

• Chemical name: 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• SMILES: C=CCCCCOc1ccc2c(c1)ccc(c2)C(=O)O
• Title of publication: 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid
• Authors of publication: Rahman, Md. Lutfor; Srinivasa, H. T.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o696 - o697
• a: 9.5018 ± 0.0002 Å
• b: 14.8695 ± 0.0002 Å
• c: 17.6757 ± 0.0003 Å
• α: 113.638 ± 0.001°
• β: 102.188 ± 0.001°
• γ: 93.127 ± 0.001°
• Cell volume: 2209.06 ± 0.07 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No