Information card for entry 4034528

Structure parameters

• Formula: C17 H13 I O
• Calculated formula: C17 H13 I O
• SMILES: IC(=C(Oc1ccccc1)\C#Cc1ccccc1)\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: 15.7256 ± 0.0011 Å
• b: 7.8647 ± 0.0005 Å
• c: 12.5283 ± 0.0008 Å
• α: 90°
• β: 107.452 ± 0.007°
• γ: 90°
• Cell volume: 1478.14 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No