Information card for entry 1556143

Structure parameters

• Formula: C41 H37 Cl3 I2 N2 O9 S4
• Calculated formula: C41 H37 Cl3 I2 N2 O9 S4
• Title of publication: Oxidative diamination promoted by dinuclear iodine(III) reagents.
• Authors of publication: Röben, Caren; Souto, José A; Escudero-Adán, Eduardo C; Muñiz, Kilian
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1008 - 1011
• a: 9.3373 ± 0.0003 Å
• b: 15.5995 ± 0.0004 Å
• c: 15.8053 ± 0.0005 Å
• α: 84.143 ± 0.001°
• β: 86.017 ± 0.001°
• γ: 84.742 ± 0.001°
• Cell volume: 2276.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No