Information card for entry 1503414

Structure parameters

• Formula: C26 H19 Br2 N O4
• Calculated formula: C26 H19 Br2 N O4
• SMILES: Brc1ccc(cc1)[C@@H]1C(=C[C@@H]2[C@@H](c3ccc(Br)cc3)Oc3ccccc3[C@H]2[C@H]1N(=O)=O)C=O
• Title of publication: Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.
• Authors of publication: Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 776 - 779
• a: 10.7996 ± 0.0006 Å
• b: 11.8516 ± 0.0007 Å
• c: 17.5643 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2248.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No