Information card for entry 4032550

Structure parameters

• Formula: C28 H24 N2 O4 S
• Calculated formula: C28 H24 N2 O4 S
• SMILES: S=C1N([C@]2(OC(=C([C@H]2[C@@H]1C(=O)c1ccccc1)C(=O)OCC)N)c1ccccc1)c1ccccc1
• Title of publication: Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.
• Authors of publication: Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 5566 - 5573
• a: 10.859 ± 0.003 Å
• b: 12.13 ± 0.003 Å
• c: 18.229 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2401.1 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0457
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No