Information card for entry 2006410

Structure parameters

• Formula: C12 H14 O3
• Calculated formula: C12 H14 O3
• Title of publication: Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate
• Authors of publication: Gable, Robert W.; Gan, Chee Yong; Lambert, John N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1122 - 1124
• a: 15.2699 ± 0.0009 Å
• b: 6.833 ± 0.002 Å
• c: 19.9199 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2078.4 ± 0.6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα(nickelfiltered)
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes