Information card for entry 7128071

Structure parameters

• Formula: C31 H38 B Cl2 F8 N3
• Calculated formula: C31 H38 B Cl1.9999 F8 N3
• Title of publication: Diverse reactivity of carbenes and silylenes towards fluoropyridines.
• Authors of publication: Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 36
• Pages of publication: 4428 - 4431
• a: 10.7352 ± 0.0003 Å
• b: 17.745 ± 0.0005 Å
• c: 18.4206 ± 0.0005 Å
• α: 90°
• β: 100.624 ± 0.002°
• γ: 90°
• Cell volume: 3448.9 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.89 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No