Information card for entry 7152067

Structure parameters

• Formula: C20 H21 N O6
• Calculated formula: C20 H23 N O7
• SMILES: O(c1c(OC)ccc2c1C1(O)N(C2=O)CCc2c1cc(OC)c(OC)c2)C.O
• Title of publication: Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.
• Authors of publication: Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 7643 - 7646
• a: 10.155 ± 0.0002 Å
• b: 19.4043 ± 0.0005 Å
• c: 9.8299 ± 0.0003 Å
• α: 90°
• β: 95.344 ± 0.002°
• γ: 90°
• Cell volume: 1928.57 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No