Information card for entry 1502839

Structure parameters

• Formula: C24 H23 N O
• Calculated formula: C24 H23 N O
• SMILES: N12[C@@H]([C@@H](c3c(OC)cccc3)[C@H](c3c2cccc3)C)Cc2ccccc12
• Title of publication: Synthesis of polycyclic nitrogen heterocycles via alkene aminopalladation/carbopalladation cascade reactions.
• Authors of publication: Schultz, Danielle M.; Wolfe, John P.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1028 - 1031
• a: 7.6052 ± 0.0004 Å
• b: 13.5568 ± 0.0007 Å
• c: 16.9736 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.02 ± 0.16 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No