Information card for entry 7122168

Structure parameters

• Formula: C28 H20 Br N O7
• Calculated formula: C28 H20 Br N O7
• Title of publication: Diversity-oriented synthesis of chromenopyrrolidines from azomethine ylides and 2-hydroxybenzylidene indandiones via base-controlled regiodivergent (3+2) cycloaddition.
• Authors of publication: Yu, Jhen-Kuei; Chien, Han-Wei; Lin, Yi-Jung; Karanam, Praneeth; Chen, Yu-Heng; Lin, Wenwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9921 - 9924
• a: 9.0255 ± 0.0003 Å
• b: 10.5951 ± 0.0003 Å
• c: 13.5639 ± 0.0004 Å
• α: 80.012 ± 0.002°
• β: 77.037 ± 0.001°
• γ: 72.625 ± 0.001°
• Cell volume: 1198.4 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1261
• 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