Information card for entry 7157972

Structure parameters

• Formula: C34 H26 O2
• Calculated formula: C34 H26 O2
• Title of publication: Gold-catalyzed synthesis of 1<i>H</i>-isochromene-4-carbaldehydes <i>via</i> oxidative cascade cyclization.
• Authors of publication: Emmaniel Raju, Chittala; Kadiyala, Veerabhushanam; Sreenivasulu, Gottam; Kumar, Perla Bharath; Sridhar, Balasubramanian; Karunakar, Galla V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 3634 - 3643
• a: 12.1135 ± 0.0002 Å
• b: 20.9493 ± 0.0004 Å
• c: 10.1143 ± 0.0002 Å
• α: 90°
• β: 101.59 ± 0.03°
• γ: 90°
• Cell volume: 2514.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.105
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No