Information card for entry 7156844

Structure parameters

• Formula: C30 H25 I N3 O P
• Calculated formula: C30 H25 I N3 O P
• Title of publication: Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
• Authors of publication: Anitha, Mandala; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5736 - 5748
• a: 8.9643 ± 0.0004 Å
• b: 11.6596 ± 0.0006 Å
• c: 14.2643 ± 0.0007 Å
• α: 69.832 ± 0.002°
• β: 71.872 ± 0.002°
• γ: 79.193 ± 0.002°
• Cell volume: 1324.64 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No