Information card for entry 4034184

Structure parameters

• Formula: C19 H14 O
• Calculated formula: C19 H14 O
• SMILES: o1c2c3ccccc3ccc2c(c1)Cc1ccccc1
• Title of publication: Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.
• Authors of publication: Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 8959 - 8975
• a: 6.1363 ± 0.0017 Å
• b: 10.652 ± 0.003 Å
• c: 20.542 ± 0.006 Å
• α: 90°
• β: 90.161 ± 0.003°
• γ: 90°
• Cell volume: 1342.7 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No