Information card for entry 7238430

Structure parameters

• Formula: C36 H32 O2
• Calculated formula: C36 H32 O2
• Title of publication: Palladium-catalyzed sequential reaction viaSonogashira coupling, isomerization, Claisen rearrangement and [4 + 2] cycloaddition sequence for the rapid synthesis of tricyclo[3.2.1.02,7]oct-3-ene derivatives
• Authors of publication: Zhu, Shugao; Wu, Luling; Huang, Xian
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 132
• a: 16.5695 ± 0.0006 Å
• b: 15.0759 ± 0.0006 Å
• c: 11.296 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2821.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No