Information card for entry 7221768

Structure parameters

• Chemical name: (E)-5,6-dimethoxy-3-propylidene-2,3-dihydro-1H-inden-1-one
• Formula: C14 H16 O3
• Calculated formula: C14 H16 O3
• SMILES: O=C1c2cc(OC)c(OC)cc2C(=C\CC)\C1
• Title of publication: Superacid Mediated Intramolecular Condensation: Facile Synthesis of Indenones and Indanones
• Authors of publication: Gedu, Satyanarayana; Bokka, Venkat Ramulu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.4655 ± 0.0006 Å
• b: 15.5172 ± 0.0009 Å
• c: 8.5918 ± 0.0007 Å
• α: 90°
• β: 103.799 ± 0.008°
• γ: 90°
• Cell volume: 1225.53 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No