Information card for entry 1554903

Structure parameters

• Formula: C19 H20 N2 O3
• Calculated formula: C19 H20 N2 O3
• SMILES: O1Cc2c(c3n(N=C(CCCC3)C(=O)OC)c2c2ccccc2)C1
• Title of publication: Rh(i)-Catalyzed intramolecular [2 + 2 + 1] cycloaddition of diynes with the N-terminal of the diazo group
• Authors of publication: Wang, Bo; Wang, Yuankai; Wang, Zixuan; Wang, Jianbo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2329
• a: 6.5666 ± 0.0003 Å
• b: 16.4713 ± 0.0006 Å
• c: 8.0376 ± 0.0004 Å
• α: 90°
• β: 111.405 ± 0.005°
• γ: 90°
• Cell volume: 809.39 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No