Information card for entry 4033297

Structure parameters

• Formula: C47 H43 N2 O14
• Calculated formula: C47 H43 N2 O14
• Title of publication: Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.
• Authors of publication: Thangamani, Murugesan; Kannupal, Srinivasan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 17.832 ± 0.002 Å
• b: 11.4226 ± 0.0013 Å
• c: 22.574 ± 0.003 Å
• α: 90°
• β: 100.618 ± 0.004°
• γ: 90°
• Cell volume: 4519.3 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.21 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.2842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No