Information card for entry 7156232

Structure parameters

• Formula: C30 H24 Cl2 I N O2
• Calculated formula: C30 H24 Cl2 I N O2
• Title of publication: Highly, regioselective electrophile induced cyclizations of 2-(prop-1-ynyl)benzamides
• Authors of publication: Baire, Beeraiah; Chinta, Bhavani Shankar; Vasikarla, Kamala Prasad; Sanapa, Harikrishna
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2018
• a: 18.2568 ± 0.0005 Å
• b: 18.2568 ± 0.0005 Å
• c: 33.758 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11251.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No