Information card for entry 7154712

Structure parameters

• Formula: C26 H25 O
• Calculated formula: C25 H24 O2
• SMILES: O(c1c2C(C=C(c3ccc(C)cc3)c2c(cc1)O)(c1ccc(C)cc1)C)C
• Title of publication: Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.
• Authors of publication: Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 45
• Pages of publication: 11072 - 11077
• a: 6.8637 ± 0.001 Å
• b: 11.7729 ± 0.0016 Å
• c: 13.271 ± 0.0019 Å
• α: 64.589 ± 0.007°
• β: 84.416 ± 0.008°
• γ: 82.273 ± 0.009°
• Cell volume: 958.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No