Information card for entry 1569307

Structure parameters

• Formula: C11 H14 I3 N
• Calculated formula: C11 H14 I3 N
• Title of publication: Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).
• Authors of publication: Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 7648 - 7655
• a: 8.6649 ± 0.0008 Å
• b: 8.8569 ± 0.0008 Å
• c: 9.8661 ± 0.0009 Å
• α: 84.893 ± 0.003°
• β: 88.222 ± 0.003°
• γ: 84.477 ± 0.003°
• Cell volume: 750.47 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No