Information card for entry 1506615

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: c12C([C@@H]3C(=O)[C@](c4c1c(n(c2)C)ccc4)(CCC3)C(=O)OC)(C)C.c12C([C@H]3C(=O)[C@@](c4c1c(n(c2)C)ccc4)(CCC3)C(=O)OC)(C)C
• Title of publication: Rapid synthesis of the N-methylwelwitindolinone skeleton.
• Authors of publication: MacKay, James A.; Bishop, Raynauld L.; Rawal, Viresh H.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3421 - 3424
• a: 10.3309 ± 0.0009 Å
• b: 9.9971 ± 0.0009 Å
• c: 16.1798 ± 0.0015 Å
• α: 90°
• β: 93.954 ± 0.001°
• γ: 90°
• Cell volume: 1667.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No