Information card for entry 4035168

Structure parameters

• Formula: C15.25 H10 I N O1.75
• Calculated formula: C15.25 H10 I N O1.75
• Title of publication: Regio- and Stereoselective Synthesis of Isoindolin-1-ones through BuLi-Mediated Iodoaminocyclization of 2-(1-Alkynyl)benzamides.
• Authors of publication: Brahmchari, Dhirendra; Verma, Akhilesh K.; Mehta, Saurabh
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3339 - 3347
• a: 13.8012 ± 0.0004 Å
• b: 14.1127 ± 0.0005 Å
• c: 15.8686 ± 0.0006 Å
• α: 90.852 ± 0.002°
• β: 104.066 ± 0.002°
• γ: 103.825 ± 0.002°
• Cell volume: 2902.49 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No