Information card for entry 7160196

Structure parameters

• Formula: C17 H15 I N2 O6
• Calculated formula: C17 H15 I N2 O6
• Title of publication: Synthesis of the 5/5-spiroindimicin alkaloids: development of a general synthetic approach and biological investigations.
• Authors of publication: Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 48
• Pages of publication: 9413 - 9425
• a: 10.8128 ± 0.0004 Å
• b: 11.8787 ± 0.0006 Å
• c: 13.9111 ± 0.0005 Å
• α: 96.12 ± 0.004°
• β: 91.98 ± 0.003°
• γ: 96.465 ± 0.004°
• Cell volume: 1763.33 ± 0.13 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.054
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No