Information card for entry 1545903

Structure parameters

• Formula: C20 H19 Br N2 O4
• Calculated formula: C20 H19 Br N2 O4
• Title of publication: Catalytic Annulation of Diethyl Methylenecyclopropane-1,1-dicarboxylate with 1,1-Dicyanoalkenes.
• Authors of publication: Suzuki, Itaru; Tsunoi, Shinji; Shibata, Ikuya
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2690 - 2693
• a: 28.3676 ± 0.0005 Å
• b: 12.0527 ± 0.0002 Å
• c: 11.4928 ± 0.0002 Å
• α: 90°
• β: 91.5907 ± 0.001°
• γ: 90°
• Cell volume: 3927.94 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No