Information card for entry 1554767

Structure parameters

• Formula: C31 H24 Cl N O3
• Calculated formula: C31 H24 Cl N O3
• SMILES: c1(cccc(c1)C(=O)O[C@@]1(C(=O)N(c2c1cccc2)C)[C@@H](/C=C/c1ccccc1)c1ccccc1)Cl
• Title of publication: Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles.
• Authors of publication: Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1066 - 1069
• a: 7.081 ± 0.0004 Å
• b: 19.406 ± 0.0012 Å
• c: 9.491 ± 0.0006 Å
• α: 90°
• β: 98.161 ± 0.002°
• γ: 90°
• Cell volume: 1290.99 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No