Information card for entry 1508291

Structure parameters

• Formula: C23 H25 N O4
• Calculated formula: C23 H25 N O4
• SMILES: O=C1C[C@@H]2C(c3cn(c4c3c(ccc4)[C@]([C@]1(C)C=C)(C2=O)C(=O)OC)C)(C)C.O=C1C[C@H]2C(c3cn(c4c3c(ccc4)[C@@]([C@@]1(C)C=C)(C2=O)C(=O)OC)C)(C)C
• Title of publication: Formal syntheses of naturally occurring welwitindolinones.
• Authors of publication: Fu, Tsung-Hao; McElroy, William T.; Shamszad, Mariam; Martin, Stephen F.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3834 - 3837
• a: 13.7042 ± 0.0006 Å
• b: 9.7308 ± 0.0005 Å
• c: 14.7628 ± 0.0008 Å
• α: 90°
• β: 96.649 ± 0.002°
• γ: 90°
• Cell volume: 1955.42 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No