Information card for entry 4034526

Structure parameters

• Formula: C19 H18 I N O
• Calculated formula: C19 H18 I N O
• SMILES: IC(=C(Oc1ccccc1)\C(CC)(c1ccccc1)C#N)\C
• Title of publication: Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.
• Authors of publication: Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13345 - 13363
• a: 7.53781 ± 0.00014 Å
• b: 10.20563 ± 0.00017 Å
• c: 11.60365 ± 0.00018 Å
• α: 73.547 ± 0.0014°
• β: 78.527 ± 0.0014°
• γ: 86.886 ± 0.0014°
• Cell volume: 838.99 ± 0.03 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections included in the refinement: 0.0264
• Goodness-of-fit parameter for all reflections included in the refinement: 2.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No