Information card for entry 1534111

Structure parameters

• Chemical name: CBT-V-255-01
• Formula: C18 H16 I N O
• Calculated formula: C18 H16 I N O
• SMILES: IC/C=C/[C@]1(ON=C(C1)c1ccccc1)c1ccccc1
• Title of publication: Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.
• Authors of publication: Tripathi, Chandra Bhushan; Mukherjee, Santanu
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4424 - 4427
• a: 9.9179 ± 0.0015 Å
• b: 5.7432 ± 0.0007 Å
• c: 14.186 ± 0.002 Å
• α: 90°
• β: 95.817 ± 0.009°
• γ: 90°
• Cell volume: 803.88 ± 0.19 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No