Information card for entry 7719040

Structure parameters

• Chemical name: C336
• Formula: C14 H10 I N3 O
• Calculated formula: C14 H10 I N3 O
• Title of publication: Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.
• Authors of publication: Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8470 - 8482
• a: 4.1544 ± 0.0003 Å
• b: 10.7973 ± 0.0009 Å
• c: 30.5567 ± 0.0016 Å
• α: 90°
• β: 92.301 ± 0.005°
• γ: 90°
• Cell volume: 1369.56 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No