Information card for entry 7134525

Structure parameters

• Chemical name: (1-diazo-2,2-difluoro-2-(phenylsulfonyl)ethyl)(phenyl)-iodaneyl trifluoromethanesulfonate
• Formula: C15 H10 F5 I N2 O5 S2
• Calculated formula: C15 H10 F5 I N2 O5 S2
• Title of publication: Transition metal/photocatalyst-free skeletal editing of indene with iodonium difluorodiazo reagent to access 2-(difluoromethyl)naphthalene
• Authors of publication: Yuan, Zong-Rui; Sun, Meng-Qi; Chen, Wei-Chen; Zhang, Zhi-Qi; Ma, Jun-An; Zhang, Fa-Guang
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 48
• Pages of publication: 8667 - 8670
• a: 13.9965 ± 0.0004 Å
• b: 9.6084 ± 0.0003 Å
• c: 15.2172 ± 0.0005 Å
• α: 90°
• β: 90.161 ± 0.001°
• γ: 90°
• Cell volume: 2046.46 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No