Information card for entry 1508754

Structure parameters

• Formula: C27 H24 Cl N O3
• Calculated formula: C27 H24 Cl N O3
• SMILES: c1(cc2[C@@](C(=O)N(c2cc1)Cc1ccccc1)([C@H](/C=C(\C)C=O)Cc1ccccc1)O)Cl
• Title of publication: Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.
• Authors of publication: Cassani, Carlo; Melchiorre, Paolo
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5590 - 5593
• a: 9.784 Å
• b: 13.467 Å
• c: 16.619 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.74 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No