Information card for entry 2006303

Structure parameters

• Chemical name: Spiro[3-carboxy-1',3'-dihydro-2-methyl-6-oxo-2-cyclohexene-1,2'-[2H]indene]
• Formula: C16 H16 O3
• Calculated formula: C16 H16 O3
• Title of publication: Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid
• Authors of publication: Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 901 - 903
• a: 19.515 ± 0.003 Å
• b: 5.8352 ± 0.0009 Å
• c: 22.854 ± 0.003 Å
• α: 90°
• β: 90.669 ± 0.009°
• γ: 90°
• Cell volume: 2602.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.1328
• Goodness-of-fit parameter for all reflections: 0.904
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No