Information card for entry 1503991

Structure parameters

• Formula: C19 H21 N O5
• Calculated formula: C19 H21 N O5
• SMILES: N1CCc2cc(OC)c(OC)cc2C1=CC(=O)C1=C(CCC1)C(=O)O
• Title of publication: One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.
• Authors of publication: Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3802 - 3805
• a: 14.7842 ± 0.0009 Å
• b: 14.5452 ± 0.0009 Å
• c: 7.6305 ± 0.0005 Å
• α: 90°
• β: 102.909 ± 0.001°
• γ: 90°
• Cell volume: 1599.39 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No