Information card for entry 2224206

Structure parameters

• Chemical name: 5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid
• Formula: C11 H12 O2
• Calculated formula: C11 H12 O2
• SMILES: OC(=O)c1c2CCCCc2ccc1
• Title of publication: 5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid
• Authors of publication: Zou, Pei; Xie, Min-Hao; Wu, Hao; Liu, Ya-Ling; He, Yong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3223
• a: 7.477 ± 0.002 Å
• b: 7.664 ± 0.002 Å
• c: 8.546 ± 0.002 Å
• α: 68.39 ± 0.01°
• β: 80.666 ± 0.012°
• γ: 75.977 ± 0.01°
• Cell volume: 440.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0539
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes