Information card for entry 4037353

Structure parameters

• Formula: C27 H21 Br2 N O6
• Calculated formula: C27 H21 Br2 N O6
• SMILES: c1(ccc2c(c1)[C@@H]1[C@H](C(=O)O2)[C@@H](c2c(ccc(c2)Br)OC(=O)c2ccccc2)N[C@]1(C(=O)OC)C)Br.c1(ccc2c(c1)[C@H]1[C@@H](C(=O)O2)[C@H](c2c(ccc(c2)Br)OC(=O)c2ccccc2)N[C@@]1(C(=O)OC)C)Br
• Title of publication: Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.
• Authors of publication: Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 20
• Pages of publication: 10071 - 10080
• a: 18.565 ± 0.001 Å
• b: 14.7048 ± 0.0007 Å
• c: 18.3354 ± 0.0009 Å
• α: 90°
• β: 97.703 ± 0.002°
• γ: 90°
• Cell volume: 4960.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No