Information card for entry 4034553

Structure parameters

• Formula: C30 H21 N O2
• Calculated formula: C30 H21 N O2
• SMILES: O1C2NC(C=C(C=2C(=O)c2c1cccc2)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Zn(OTf)₂-Catalyzed Formal [3 + 3] Cascade Annulation of Propargylic Alcohols with 2-Aminochromones: Accessing the Chromeno[2,3-<i>b</i>]pyridines.
• Authors of publication: Tong, Pei; Sun, Zhou; Wang, Shutao; Zhang, Yuan; Li, Ying
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13967 - 13974
• a: 11.6527 ± 0.0019 Å
• b: 16.548 ± 0.0019 Å
• c: 12.5581 ± 0.0019 Å
• α: 90°
• β: 109.183 ± 0.017°
• γ: 90°
• Cell volume: 2287.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1387
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No