Information card for entry 1507176

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• SMILES: O=C1N2[C@H]3c4ccccc4C[C@H]3O[C@@]2(C[C@]1(c1c2ccccc2[nH]c1)C)C
• Title of publication: High-pressure accelerated asymmetric organocatalytic friedel-crafts alkylation of indoles with enones: application to quaternary stereogenic centers construction.
• Authors of publication: Lyżwa, Dawid; Dudziński, Krzysztof; Kwiatkowski, Piotr
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1540 - 1543
• a: 7.8925 ± 0.0002 Å
• b: 14.7158 ± 0.0005 Å
• c: 15.8394 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.66 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No