Information card for entry 7224747

Structure parameters

• Formula: C29 H28 O3
• Calculated formula: C29 H28 O3
• Title of publication: Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity
• Authors of publication: Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4846 ± 0.0006 Å
• b: 15.8614 ± 0.0008 Å
• c: 14.735 ± 0.0008 Å
• α: 90°
• β: 99.128 ± 0.005°
• γ: 90°
• Cell volume: 2419.4 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No