Information card for entry 1502242

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: c12ccccc1c1c([C@]3(C(=O)[C@H](CCC3)C1(C)C)C(=O)OC)n2C.c12ccccc1c1c([C@@]3(C(=O)[C@@H](CCC3)C1(C)C)C(=O)OC)n2C
• Title of publication: Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.
• Authors of publication: Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3214 - 3217
• a: 10.639 ± 0.003 Å
• b: 15.23 ± 0.003 Å
• c: 10.594 ± 0.002 Å
• α: 90°
• β: 107.204 ± 0.004°
• γ: 90°
• Cell volume: 1639.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0758
• 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: No
• Has Fobs: No