Information card for entry 4029828

Structure parameters

• Formula: C24.5 H19 N O4.5
• Calculated formula: C24.5 H19 N O4.5
• SMILES: O=c1oc2c([C@@H]([C@H](c3c2cccc3)C(=O)O)c2cnccc2)c2ccccc12.O=c1oc2c([C@H]([C@@H](c3c2cccc3)C(=O)O)c2cnccc2)c2ccccc12.OC(C)C
• 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: 10.2269 ± 0.0006 Å
• b: 15.884 ± 0.0009 Å
• c: 12.1416 ± 0.0007 Å
• α: 90°
• β: 98.281 ± 0.001°
• γ: 90°
• Cell volume: 1951.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No