Information card for entry 4029827

Structure parameters

• Formula: C28 H32 F3 N3 O5
• Calculated formula: C28 H32 F3 N3 O5
• Title of publication: N-methylimidazole promotes the reaction of homophthalic anhydride with imines.
• Authors of publication: Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 16
• Pages of publication: 7593 - 7599
• a: 12.6288 ± 0.0006 Å
• b: 9.4968 ± 0.0005 Å
• c: 13.1535 ± 0.0007 Å
• α: 90°
• β: 118.149 ± 0.002°
• γ: 90°
• Cell volume: 1390.96 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No