Information card for entry 7156423

Structure parameters

• Chemical name: Parent Chalcone Dimer
• Formula: C34 H28 O2
• Calculated formula: C34 H28 O2
• Title of publication: Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.
• Authors of publication: Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 6870 - 6875
• a: 9.3615 ± 0.0003 Å
• b: 11.4117 ± 0.0004 Å
• c: 12.4513 ± 0.0004 Å
• α: 105.753 ± 0.002°
• β: 98.617 ± 0.002°
• γ: 95.08 ± 0.002°
• Cell volume: 1254.04 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0548
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No