Information card for entry 2209302

Structure parameters

• Chemical name: Spiro[cyclopropane-1,1'-1H-inden]-2'(3'H)-one'
• Formula: C11 H9 O
• Calculated formula: C11 H9 O
• SMILES: O=C1Cc2c(C31CC3)cccc2
• Title of publication: Spiro[cyclopropane-1,1'-1<i>H</i>-inden]-2'(3'<i>H</i>)-one
• Authors of publication: Mutikainen Ilpo; Yli-Kauhaluoma, Jari; Salakari, Anja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2415 - o2416
• a: 8.941 ± 0.001 Å
• b: 6.996 ± 0.001 Å
• c: 13.491 ± 0.002 Å
• α: 90°
• β: 97.34 ± 0.01°
• γ: 90°
• Cell volume: 837 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes