Information card for entry 1555336

Structure parameters

• Formula: C26 H18 Br N O2
• Calculated formula: C26 H18 Br N O2
• Title of publication: DABCO-Mediated [4 + 4]-Domino Annulation: Access to Functionalized Eight-Membered Cyclic Ethers.
• Authors of publication: Liang, Ling; Li, Erqing; Dong, Xuelin; Huang, You
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4914 - 4917
• a: 10.612 ± 0.002 Å
• b: 16.848 ± 0.003 Å
• c: 23.394 ± 0.005 Å
• α: 90°
• β: 96.68 ± 0.03°
• γ: 90°
• Cell volume: 4154.2 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No